N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C23H21N5O2S — CID 78846347

IUPACN-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C23H21N5O2S/c1-27(15-17-14-24-28(16-17)19-10-6-3-7-11-19)22(29)20-12-13-21(31-20)26-23(30)25-18-8-4-2-5-9-18/h2-14,16H,15H2,1H3,(H2,25,26,30)
InChIKeyKFMTYKMFSPYMAO-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.85
Rot. Bonds6

About N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide

N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 78846347) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID78846347
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1
InChIInChI=1S/C23H21N5O2S/c1-27(15-17-14-24-28(16-17)19-10-6-3-7-11-19)22(29)20-12-13-21(31-20)26-23(30)25-18-8-4-2-5-9-18/h2-14,16H,15H2,1H3,(H2,25,26,30)
InChIKeyKFMTYKMFSPYMAO-UHFFFAOYSA-N
XLogP4.85
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 8962004
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 86852439
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 97111991
N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 86927392
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760063
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
N-methyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 134036021

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 78846347) is N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NC(=O)Nc2ccccc2)s1.
What is the InChIKey of N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is KFMTYKMFSPYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-27(15-17-14-24-28(16-17)19-10-6-3-7-11-19)22(29)20-12-13-21(31-20)26-23(30)25-18-8-4-2-5-9-18/h2-14,16H,15H2,1H3,(H2,25,26,30).
What are the key properties of N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 78846347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).