N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide

C17H20N4O2S — CID 9205772

IUPACN-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C17H20N4O2S/c1-20-8-10-21(11-9-20)19-16(22)13-4-6-14(7-5-13)18-17(23)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,23)(H,19,22)
InChIKeyXFEPWFRROUIEEN-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.89
Rot. Bonds4

About N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9205772) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9205772
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C17H20N4O2S/c1-20-8-10-21(11-9-20)19-16(22)13-4-6-14(7-5-13)18-17(23)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,23)(H,19,22)
InChIKeyXFEPWFRROUIEEN-UHFFFAOYSA-N
XLogP1.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(piperidin-1-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9272074
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 17440704
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941
N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 27037249

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 9205772) is N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide is CN1CCN(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is XFEPWFRROUIEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-20-8-10-21(11-9-20)19-16(22)13-4-6-14(7-5-13)18-17(23)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3,(H,18,23)(H,19,22).
What are the key properties of N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9205772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).