N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide

C24H28ClN3O3S — CID 41282701

IUPACN-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C24H28ClN3O3S/c25-19-8-7-18(16-20(19)26-22(29)21-6-5-15-32-21)24(31)28-13-9-17(10-14-28)23(30)27-11-3-1-2-4-12-27/h5-8,15-17H,1-4,9-14H2,(H,26,29)
InChIKeyNJCALKVQYXPIRR-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.91
Rot. Bonds4

About N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide

N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 41282701) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID41282701
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC NameN-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1Cl)c1cccs1
InChIInChI=1S/C24H28ClN3O3S/c25-19-8-7-18(16-20(19)26-22(29)21-6-5-15-32-21)24(31)28-13-9-17(10-14-28)23(30)27-11-3-1-2-4-12-27/h5-8,15-17H,1-4,9-14H2,(H,26,29)
InChIKeyNJCALKVQYXPIRR-UHFFFAOYSA-N
XLogP4.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956968
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 119468501
[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
CID 75387916
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
CID 119595398
N-[2-chloro-5-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 95275132
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 112800496
N-[2-chloro-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119650923
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55861643

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide (CID 41282701) is N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1Cl)c1cccs1.
What is the InChIKey of N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is NJCALKVQYXPIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c25-19-8-7-18(16-20(19)26-22(29)21-6-5-15-32-21)24(31)28-13-9-17(10-14-28)23(30)27-11-3-1-2-4-12-27/h5-8,15-17H,1-4,9-14H2,(H,26,29).
What are the key properties of N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 474.03 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 41282701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).