4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide

C23H29NO2S2 — CID 142709258

IUPAC4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(c2csc(-c3ccccc3)c2)C2CCS(=O)CC2)CC1
InChIInChI=1S/C23H29NO2S2/c1-17-7-9-19(10-8-17)23(25)24(20-11-13-28(26)14-12-20)21-15-22(27-16-21)18-5-3-2-4-6-18/h2-6,15-17,19-20H,7-14H2,1H3
InChIKeyFKFNDOASMFKXQQ-UHFFFAOYSA-N
MW415.62 g/mol
LogP5.49
Rot. Bonds4

About 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide

4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide (PubChem CID 142709258) has the molecular formula C23H29NO2S2 and a molecular weight of 415.62 g/mol. Its IUPAC name is 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
PubChem CID142709258
Molecular FormulaC23H29NO2S2
Molecular Weight415.62 g/mol
Exact Mass415.16
IUPAC Name4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(c2csc(-c3ccccc3)c2)C2CCS(=O)CC2)CC1
InChIInChI=1S/C23H29NO2S2/c1-17-7-9-19(10-8-17)23(25)24(20-11-13-28(26)14-12-20)21-15-22(27-16-21)18-5-3-2-4-6-18/h2-6,15-17,19-20H,7-14H2,1H3
InChIKeyFKFNDOASMFKXQQ-UHFFFAOYSA-N
XLogP5.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 91384838
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide
CID 141101656
N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 152782063
CID 59752348
CID 59752348
methyl 3-[(4-methylcyclohexanecarbonyl)-(4-methylidenecyclohexyl)amino]-5-phenylthiophene-2-carboxylate
CID 59752338
N-(2-acetyl-5-phenylthiophen-3-yl)-N-(1,1-dioxothian-4-yl)-4-methylcyclohexane-1-carboxamide
CID 59752385
methyl 3-[(4-methylcyclohexanecarbonyl)-(thian-4-yl)amino]-5-phenylthiophene-2-carboxylate
CID 59752302
3-[(4-methylcyclohexanecarbonyl)-(1-phenylpiperidin-1-ium-4-yl)amino]-5-phenylthiophene-2-carboxylic acid chloride
CID 142679198
methyl 3-[(1-acetylpiperidin-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 59752293
3-[[4-(hydroxymethylimino)cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 71080399
4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 70834124
ethenyl 2-[(4-methylcyclohexanecarbonyl)-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]amino]-5-phenylthiophene-3-carboxylate
CID 143070301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide (CID 142709258) is 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide is CC1CCC(C(=O)N(c2csc(-c3ccccc3)c2)C2CCS(=O)CC2)CC1.
What is the InChIKey of 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide?
The InChIKey is FKFNDOASMFKXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2S2/c1-17-7-9-19(10-8-17)23(25)24(20-11-13-28(26)14-12-20)21-15-22(27-16-21)18-5-3-2-4-6-18/h2-6,15-17,19-20H,7-14H2,1H3.
What are the key properties of 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide?
4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide has a molecular weight of 415.62 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-oxothian-4-yl)-N-(5-phenylthiophen-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 142709258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).