3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide

C20H23ClN4O3S — CID 58772723

IUPAC3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
SMILESCC(=O)N(C)C1CCC(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H23ClN4O3S/c1-12(26)25(2)15-6-3-13(4-7-15)19(27)23-16-9-10-29-18(16)20(28)24-17-8-5-14(21)11-22-17/h5,8-11,13,15H,3-4,6-7H2,1-2H3,(H,23,27)(H,22,24,28)
InChIKeyCKRQZBVBSSQSGY-UHFFFAOYSA-N
MW434.95 g/mol
LogP4.02
Rot. Bonds5

About 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide

3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 58772723) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
PubChem CID58772723
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC Name3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
SMILESCC(=O)N(C)C1CCC(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C20H23ClN4O3S/c1-12(26)25(2)15-6-3-13(4-7-15)19(27)23-16-9-10-29-18(16)20(28)24-17-8-5-14(21)11-22-17/h5,8-11,13,15H,3-4,6-7H2,1-2H3,(H,23,27)(H,22,24,28)
InChIKeyCKRQZBVBSSQSGY-UHFFFAOYSA-N
XLogP4.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]pyridine-2-carboxamide
CID 11475123
N-(5-chloro-2-pyridinyl)-3-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide
CID 70066035
3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 61094139
methyl 3-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 38967933
3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 22596412
3-[[4-[acetyl(propan-2-yl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 23062669
5-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;dihydrochloride
CID 23062731
N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
CID 20619862
N-(5-chloro-2-pyridinyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47118067
N-(5-chloro-2-pyridinyl)-3-[[4-(2-sulfinamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
CID 18728141
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide
CID 173199600
3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 63800911

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide (CID 58772723) is 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide is CC(=O)N(C)C1CCC(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is CKRQZBVBSSQSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c1-12(26)25(2)15-6-3-13(4-7-15)19(27)23-16-9-10-29-18(16)20(28)24-17-8-5-14(21)11-22-17/h5,8-11,13,15H,3-4,6-7H2,1-2H3,(H,23,27)(H,22,24,28).
What are the key properties of 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide?
3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 434.95 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[acetyl(methyl)amino]cyclohexanecarbonyl]amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 58772723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).