[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid

C24H23N3O6S — CID 89238579

IUPAC[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(Cc3ccccc3)NC(=O)O)cc1)C2
InChIInChI=1S/C24H23N3O6S/c1-2-22(28)26-23-13-18-14-27(15-21(18)33-23)34(31,32)19-10-8-17(9-11-19)20(25-24(29)30)12-16-6-4-3-5-7-16/h2-11,13,20,25H,1,12,14-15H2,(H,26,28)(H,29,30)
InChIKeyMGFUBFMMOCEECL-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.66
Rot. Bonds8

About [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid

[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid (PubChem CID 89238579) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid
PubChem CID89238579
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(Cc3ccccc3)NC(=O)O)cc1)C2
InChIInChI=1S/C24H23N3O6S/c1-2-22(28)26-23-13-18-14-27(15-21(18)33-23)34(31,32)19-10-8-17(9-11-19)20(25-24(29)30)12-16-6-4-3-5-7-16/h2-11,13,20,25H,1,12,14-15H2,(H,26,28)(H,29,30)
InChIKeyMGFUBFMMOCEECL-UHFFFAOYSA-N
XLogP3.66
TPSA128.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-phenyl-1-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]ethyl]carbamic acid
CID 89239193
N-[5-(4-cyclopentyloxyphenyl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237448
N-[5-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238402
N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238296
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 89239056
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89236220
4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 89238027
N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238764
N-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 52938044
benzyl N-[[1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 52939774
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89238723
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89236682

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid?
The IUPAC name of [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid (CID 89238579) is [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid.
What is the SMILES notation for [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid?
The canonical SMILES for [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid is C=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(C(Cc3ccccc3)NC(=O)O)cc1)C2.
What is the InChIKey of [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid?
The InChIKey is MGFUBFMMOCEECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-2-22(28)26-23-13-18-14-27(15-21(18)33-23)34(31,32)19-10-8-17(9-11-19)20(25-24(29)30)12-16-6-4-3-5-7-16/h2-11,13,20,25H,1,12,14-15H2,(H,26,28)(H,29,30).
What are the key properties of [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid?
[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid has a molecular weight of 481.53 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid is sourced from PubChem (CID 89238579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).