N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide

C21H28N2O4S — CID 92722877

IUPACN-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide
SMILESC[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NC3CCCC3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C21H28N2O4S/c1-14-12-16-13-18(8-9-19(16)23(14)21(25)15-6-7-15)28(26,27)11-10-20(24)22-17-4-2-3-5-17/h8-9,13-15,17H,2-7,10-12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyBYABTVHSGUXXJY-AWEZNQCLSA-N
MW404.53 g/mol
LogP2.60
Rot. Bonds6

About N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide

N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide (PubChem CID 92722877) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide
PubChem CID92722877
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide
SMILESC[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NC3CCCC3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C21H28N2O4S/c1-14-12-16-13-18(8-9-19(16)23(14)21(25)15-6-7-15)28(26,27)11-10-20(24)22-17-4-2-3-5-17/h8-9,13-15,17H,2-7,10-12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyBYABTVHSGUXXJY-AWEZNQCLSA-N
XLogP2.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 20917390
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)propanamide
CID 20917384
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,4-dimethylphenyl)propanamide
CID 20917376
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 20917406
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 20950665
(3R)-N-cyclohexyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688064
N-(4-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853326
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
1-(cyclopropanecarbonyl)-2-methyl-N-morpholin-4-yl-2,3-dihydroindole-5-sulfonamide
CID 6624196
[(2R)-5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 93178240

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide?
The IUPAC name of N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide (CID 92722877) is N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide is C[C@H]1Cc2cc(S(=O)(=O)CCC(=O)NC3CCCC3)ccc2N1C(=O)C1CC1.
What is the InChIKey of N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide?
The InChIKey is BYABTVHSGUXXJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14-12-16-13-18(8-9-19(16)23(14)21(25)15-6-7-15)28(26,27)11-10-20(24)22-17-4-2-3-5-17/h8-9,13-15,17H,2-7,10-12H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide?
N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide has a molecular weight of 404.53 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide is sourced from PubChem (CID 92722877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).