N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide

C17H24N4O3S — CID 110625954

IUPACN-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide
SMILESCCCNS(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C17H24N4O3S/c1-2-9-19-25(23,24)21-16(17(22)20-13-7-8-13)10-12-11-18-15-6-4-3-5-14(12)15/h3-6,11,13,16,18-19,21H,2,7-10H2,1H3,(H,20,22)
InChIKeyRVIORTUKXTVEAM-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.19
Rot. Bonds9

About N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide

N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide (PubChem CID 110625954) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide
PubChem CID110625954
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide
SMILESCCCNS(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC1
InChIInChI=1S/C17H24N4O3S/c1-2-9-19-25(23,24)21-16(17(22)20-13-7-8-13)10-12-11-18-15-6-4-3-5-14(12)15/h3-6,11,13,16,18-19,21H,2,7-10H2,1H3,(H,20,22)
InChIKeyRVIORTUKXTVEAM-UHFFFAOYSA-N
XLogP1.19
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylsulfamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 114805226
N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 40637610
2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide
CID 110625943
N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 110286344
(2S)-2-(cyclopropylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 61187372
2-(cyclopropylamino)-3-(1H-indol-3-yl)propanoic acid
CID 68626670
N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70208719
benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7997575
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
(2R)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid
CID 29276544
[2-(cyclopropylamino)-2-oxoethyl]-[2-[[(2R)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8911584

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide?
The IUPAC name of N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide (CID 110625954) is N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide is CCCNS(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide?
The InChIKey is RVIORTUKXTVEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-2-9-19-25(23,24)21-16(17(22)20-13-7-8-13)10-12-11-18-15-6-4-3-5-14(12)15/h3-6,11,13,16,18-19,21H,2,7-10H2,1H3,(H,20,22).
What are the key properties of N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide?
N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide has a molecular weight of 364.47 g/mol, XLogP of 1.19, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1H-indol-3-yl)-2-(propylsulfamoylamino)propanamide is sourced from PubChem (CID 110625954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).