N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

C25H30N4O4S — CID 89238064

IUPACN-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESC=CC(=O)NC1CC2CN(S(=O)(=O)c3ccc(NC(=O)c4cc5c([nH]4)CCCC5)cc3)CC2C1
InChIInChI=1S/C25H30N4O4S/c1-2-24(30)26-20-11-17-14-29(15-18(17)12-20)34(32,33)21-9-7-19(8-10-21)27-25(31)23-13-16-5-3-4-6-22(16)28-23/h2,7-10,13,17-18,20,28H,1,3-6,11-12,14-15H2,(H,26,30)(H,27,31)
InChIKeyOMCMFFXFUJSMER-UHFFFAOYSA-N
MW482.61 g/mol
LogP2.85
Rot. Bonds6

About N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (PubChem CID 89238064) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
PubChem CID89238064
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESC=CC(=O)NC1CC2CN(S(=O)(=O)c3ccc(NC(=O)c4cc5c([nH]4)CCCC5)cc3)CC2C1
InChIInChI=1S/C25H30N4O4S/c1-2-24(30)26-20-11-17-14-29(15-18(17)12-20)34(32,33)21-9-7-19(8-10-21)27-25(31)23-13-16-5-3-4-6-22(16)28-23/h2,7-10,13,17-18,20,28H,1,3-6,11-12,14-15H2,(H,26,30)(H,27,31)
InChIKeyOMCMFFXFUJSMER-UHFFFAOYSA-N
XLogP2.85
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89237969
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-1-benzothiophene-2-carboxamide
CID 89237200
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89238145
N-[4-[methyl-[3-(prop-2-enoylamino)propyl]sulfamoyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 89237286
N-[4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89239186
N-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89237728
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406241
N-[4-[2-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 89238172
5-phenyl-N-[4-[[2-(prop-2-enoylamino)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89237063
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]benzamide
CID 89236945
N-[4-[[2-(prop-2-enoylamino)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]adamantane-1-carboxamide
CID 89237572
N-(cyclopropylmethyl)-4-[3-(prop-2-enoylamino)azetidin-1-yl]sulfonylbenzamide
CID 89239091

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (CID 89238064) is N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is C=CC(=O)NC1CC2CN(S(=O)(=O)c3ccc(NC(=O)c4cc5c([nH]4)CCCC5)cc3)CC2C1.
What is the InChIKey of N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The InChIKey is OMCMFFXFUJSMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-2-24(30)26-20-11-17-14-29(15-18(17)12-20)34(32,33)21-9-7-19(8-10-21)27-25(31)23-13-16-5-3-4-6-22(16)28-23/h2,7-10,13,17-18,20,28H,1,3-6,11-12,14-15H2,(H,26,30)(H,27,31).
What are the key properties of N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 89238064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).