4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide

C16H22ClN3O2S — CID 110813453

IUPAC4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H22ClN3O2S/c17-14-7-6-13(23-14)15(21)19-8-3-9-20(11-10-19)16(22)18-12-4-1-2-5-12/h6-7,12H,1-5,8-11H2,(H,18,22)
InChIKeyVKAYPZAFTGMCJX-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.20
Rot. Bonds2

About 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide

4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide (PubChem CID 110813453) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide
PubChem CID110813453
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H22ClN3O2S/c17-14-7-6-13(23-14)15(21)19-8-3-9-20(11-10-19)16(22)18-12-4-1-2-5-12/h6-7,12H,1-5,8-11H2,(H,18,22)
InChIKeyVKAYPZAFTGMCJX-UHFFFAOYSA-N
XLogP3.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 110813448
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
N-cyclopentyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813382
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
N-cycloheptylpiperidine-1-carboxamide
CID 54054704

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide (CID 110813453) is 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide is O=C(NC1CCCC1)N1CCCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide?
The InChIKey is VKAYPZAFTGMCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2S/c17-14-7-6-13(23-14)15(21)19-8-3-9-20(11-10-19)16(22)18-12-4-1-2-5-12/h6-7,12H,1-5,8-11H2,(H,18,22).
What are the key properties of 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide?
4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide has a molecular weight of 355.89 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).