4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide

C21H27NOS — CID 91384838

IUPAC4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)CC1
InChIInChI=1S/C21H27NOS/c1-15(2)22(21(23)18-11-9-16(3)10-12-18)19-13-20(24-14-19)17-7-5-4-6-8-17/h4-8,13-16,18H,9-12H2,1-3H3
InChIKeyUNWDNZIPFMLKAU-UHFFFAOYSA-N
MW341.52 g/mol
LogP5.98
Rot. Bonds4

About 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide

4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 91384838) has the molecular formula C21H27NOS and a molecular weight of 341.52 g/mol. Its IUPAC name is 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID91384838
Molecular FormulaC21H27NOS
Molecular Weight341.52 g/mol
Exact Mass341.18
IUPAC Name4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)CC1
InChIInChI=1S/C21H27NOS/c1-15(2)22(21(23)18-11-9-16(3)10-12-18)19-13-20(24-14-19)17-7-5-4-6-8-17/h4-8,13-16,18H,9-12H2,1-3H3
InChIKeyUNWDNZIPFMLKAU-UHFFFAOYSA-N
XLogP5.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.52
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 70834124
3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid
CID 503536
4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
CID 142709258
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
CID 141101656
3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylic acid
CID 22496298
5-(4-chlorophenyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-3-carboxylic acid
CID 58869749
5-(4-fluorophenyl)-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-3-carboxylic acid
CID 11429593
1-[3-[1-(4-methylcyclohexyl)ethenyl-propan-2-ylamino]-5-phenylthiophen-2-yl]ethenol
CID 89274940
[5-[4-(4-chlorophenyl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophen-2-yl] hydrogen carbonate
CID 68798183
2-[(4-ethylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-3-carboxylic acid
CID 58869730
[3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl] hydrogen carbonate
CID 68800430
2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-4-phenoxybenzoic acid
CID 72725125

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 91384838) is 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is UNWDNZIPFMLKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NOS/c1-15(2)22(21(23)18-11-9-16(3)10-12-18)19-13-20(24-14-19)17-7-5-4-6-8-17/h4-8,13-16,18H,9-12H2,1-3H3.
What are the key properties of 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide?
4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 341.52 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91384838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).