N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

C17H18ClN3O2S — CID 119579255

IUPACN-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCN1
InChIInChI=1S/C17H18ClN3O2S/c1-11-10-21(7-6-19-11)17(23)12-4-5-13(18)14(9-12)20-16(22)15-3-2-8-24-15/h2-5,8-9,11,19H,6-7,10H2,1H3,(H,20,22)
InChIKeyNHKRFBVBVGJQKV-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.09
Rot. Bonds3

About N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 119579255) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID119579255
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESCC1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCN1
InChIInChI=1S/C17H18ClN3O2S/c1-11-10-21(7-6-19-11)17(23)12-4-5-13(18)14(9-12)20-16(22)15-3-2-8-24-15/h2-5,8-9,11,19H,6-7,10H2,1H3,(H,20,22)
InChIKeyNHKRFBVBVGJQKV-UHFFFAOYSA-N
XLogP3.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
[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-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956968
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55861643
N-[2-chloro-5-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 99786614
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-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 119468501
N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 112826553
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 119579255) is N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is CC1CN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCN1.
What is the InChIKey of N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is NHKRFBVBVGJQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-11-10-21(7-6-19-11)17(23)12-4-5-13(18)14(9-12)20-16(22)15-3-2-8-24-15/h2-5,8-9,11,19H,6-7,10H2,1H3,(H,20,22).
What are the key properties of N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119579255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).