N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide

C22H26N2OS — CID 98429828

IUPACN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c(-c2cccs2)cc2ccccc21
InChIInChI=1S/C22H26N2OS/c1-15-7-5-9-18(16(15)2)23-22(25)14-24-19-10-4-3-8-17(19)13-20(24)21-11-6-12-26-21/h3-4,6,8,10-13,15-16,18H,5,7,9,14H2,1-2H3,(H,23,25)/t15-,16+,18+/m1/s1
InChIKeyKMOJDCWSFRGPSV-RYRKJORJSA-N
MW366.53 g/mol
LogP5.31
Rot. Bonds4

About N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide (PubChem CID 98429828) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
PubChem CID98429828
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c(-c2cccs2)cc2ccccc21
InChIInChI=1S/C22H26N2OS/c1-15-7-5-9-18(16(15)2)23-22(25)14-24-19-10-4-3-8-17(19)13-20(24)21-11-6-12-26-21/h3-4,6,8,10-13,15-16,18H,5,7,9,14H2,1-2H3,(H,23,25)/t15-,16+,18+/m1/s1
InChIKeyKMOJDCWSFRGPSV-RYRKJORJSA-N
XLogP5.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 11897735
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 7328535
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-thiophen-2-ylacetamide
CID 27235346
N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4101198
N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 11896927
N-[(1R,2S)-2-methylcyclohexyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 34271897
N-[(1S,2S)-2-methylcyclohexyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 34271889
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 11916577
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 98766541

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide (CID 98429828) is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The canonical SMILES for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c(-c2cccs2)cc2ccccc21.
What is the InChIKey of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The InChIKey is KMOJDCWSFRGPSV-RYRKJORJSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-15-7-5-9-18(16(15)2)23-22(25)14-24-19-10-4-3-8-17(19)13-20(24)21-11-6-12-26-21/h3-4,6,8,10-13,15-16,18H,5,7,9,14H2,1-2H3,(H,23,25)/t15-,16+,18+/m1/s1.
What are the key properties of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide has a molecular weight of 366.53 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide is sourced from PubChem (CID 98429828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).