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

C24H22N4O2S — CID 55760063

IUPACN-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C24H22N4O2S/c1-27(16-19-15-26-28(17-19)21-6-3-2-4-7-21)24(30)20-11-9-18(10-12-20)14-25-23(29)22-8-5-13-31-22/h2-13,15,17H,14,16H2,1H3,(H,25,29)
InChIKeyNSCDPWXZOZYPAO-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.14
Rot. Bonds7

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

N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55760063) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55760063
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C24H22N4O2S/c1-27(16-19-15-26-28(17-19)21-6-3-2-4-7-21)24(30)20-11-9-18(10-12-20)14-25-23(29)22-8-5-13-31-22/h2-13,15,17H,14,16H2,1H3,(H,25,29)
InChIKeyNSCDPWXZOZYPAO-UHFFFAOYSA-N
XLogP4.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 8962004
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N-[3-methyl-1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51237828
N-methyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 134036021
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46512897
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55760063) is N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is NSCDPWXZOZYPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-27(16-19-15-26-28(17-19)21-6-3-2-4-7-21)24(30)20-11-9-18(10-12-20)14-25-23(29)22-8-5-13-31-22/h2-13,15,17H,14,16H2,1H3,(H,25,29).
What are the key properties of N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55760063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).