N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide

C23H20N4O2S — CID 8962004

IUPACN-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H20N4O2S/c1-26(15-17-14-24-27(16-17)20-9-3-2-4-10-20)23(29)18-7-5-8-19(13-18)25-22(28)21-11-6-12-30-21/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyMYAGXSFJJGYUPH-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.46
Rot. Bonds6

About N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 8962004) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID8962004
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C23H20N4O2S/c1-26(15-17-14-24-27(16-17)20-9-3-2-4-10-20)23(29)18-7-5-8-19(13-18)25-22(28)21-11-6-12-30-21/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyMYAGXSFJJGYUPH-UHFFFAOYSA-N
XLogP4.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760063
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
N-[3-methyl-1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51237828
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9227180
N-methyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 134036021
N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 78846347
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190
N-[3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18111806
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 8962004) is N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is MYAGXSFJJGYUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-26(15-17-14-24-27(16-17)20-9-3-2-4-10-20)23(29)18-7-5-8-19(13-18)25-22(28)21-11-6-12-30-21/h2-14,16H,15H2,1H3,(H,25,28).
What are the key properties of N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 8962004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).