N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide

C24H23ClN4O3S — CID 112826553

IUPACN-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CN2CCN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CC2)cc1
InChIInChI=1S/C24H23ClN4O3S/c25-19-8-7-18(14-20(19)27-23(31)21-2-1-13-33-21)24(32)29-11-9-28(10-12-29)15-16-3-5-17(6-4-16)22(26)30/h1-8,13-14H,9-12,15H2,(H2,26,30)(H,27,31)
InChIKeyWZCYQHDXTDHSEC-UHFFFAOYSA-N
MW482.99 g/mol
LogP3.71
Rot. Bonds6

About N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide

N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 112826553) has the molecular formula C24H23ClN4O3S and a molecular weight of 482.99 g/mol. Its IUPAC name is N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID112826553
Molecular FormulaC24H23ClN4O3S
Molecular Weight482.99 g/mol
Exact Mass482.12
IUPAC NameN-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(CN2CCN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CC2)cc1
InChIInChI=1S/C24H23ClN4O3S/c25-19-8-7-18(14-20(19)27-23(31)21-2-1-13-33-21)24(32)29-11-9-28(10-12-29)15-16-3-5-17(6-4-16)22(26)30/h1-8,13-14H,9-12,15H2,(H2,26,30)(H,27,31)
InChIKeyWZCYQHDXTDHSEC-UHFFFAOYSA-N
XLogP3.71
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 112800496
N-[5-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 30806659
N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55861643
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
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
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
CID 119595398
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 9181732

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide (CID 112826553) is N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide is NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)CC2)cc1.
What is the InChIKey of N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is WZCYQHDXTDHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S/c25-19-8-7-18(14-20(19)27-23(31)21-2-1-13-33-21)24(32)29-11-9-28(10-12-29)15-16-3-5-17(6-4-16)22(26)30/h1-8,13-14H,9-12,15H2,(H2,26,30)(H,27,31).
What are the key properties of N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 482.99 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112826553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).