N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

C21H22N2O2S — CID 1291491

IUPACN-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C21H22N2O2S/c24-20(22-15-7-2-1-3-8-15)14-23-13-17(16-9-4-5-10-18(16)23)21(25)19-11-6-12-26-19/h4-6,9-13,15H,1-3,7-8,14H2,(H,22,24)
InChIKeyWBYMZMFKVFPLLY-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.38
Rot. Bonds5

About N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide

N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (PubChem CID 1291491) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
PubChem CID1291491
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C21H22N2O2S/c24-20(22-15-7-2-1-3-8-15)14-23-13-17(16-9-4-5-10-18(16)23)21(25)19-11-6-12-26-19/h4-6,9-13,15H,1-3,7-8,14H2,(H,22,24)
InChIKeyWBYMZMFKVFPLLY-UHFFFAOYSA-N
XLogP4.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[2-(thiophen-2-yl)acetamido]propanamido]propanamido]pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]butanediamide
CID 117072558
8-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10406614
(s)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1h-indole-3-carboxamide
CID 125181260
3-(1-benzothiophen-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327663
3-(1-methyl-1H-indol-3-yl)-4-(thiophen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327668
Maleimide derivative, 5
CID 10477747
Pyrrolopyridine, 13
CID 16719973
N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360
methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-thiazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507810
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-thienyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507811
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-thienyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507830

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide (CID 1291491) is N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
The InChIKey is WBYMZMFKVFPLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-20(22-15-7-2-1-3-8-15)14-23-13-17(16-9-4-5-10-18(16)23)21(25)19-11-6-12-26-19/h4-6,9-13,15H,1-3,7-8,14H2,(H,22,24).
What are the key properties of N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide?
N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 1291491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).