N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide

C24H20N4O2S — CID 70194000

IUPACN-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2cccnc2)s1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H20N4O2S/c1-28(23(29)22-14-13-21(31-22)17-6-5-15-25-16-17)20-11-9-19(10-12-20)27-24(30)26-18-7-3-2-4-8-18/h2-16H,1H3,(H2,26,27,30)
InChIKeyGFTYVIOAWRMNLU-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.73
Rot. Bonds5

About N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide

N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 70194000) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide
PubChem CID70194000
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2cccnc2)s1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H20N4O2S/c1-28(23(29)22-14-13-21(31-22)17-6-5-15-25-16-17)20-11-9-19(10-12-20)27-24(30)26-18-7-3-2-4-8-18/h2-16H,1H3,(H2,26,27,30)
InChIKeyGFTYVIOAWRMNLU-UHFFFAOYSA-N
XLogP5.73
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
5-pyridin-3-ylthiophene-2-carboxamide
CID 142116945
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
CID 100651621
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
N-[4-(dimethylamino)phenyl]-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329127
1-[4-[methyl-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylamino]phenyl]-3-phenylurea
CID 68650756
N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide
CID 118716518
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide (CID 70194000) is N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide is CN(C(=O)c1ccc(-c2cccnc2)s1)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is GFTYVIOAWRMNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-28(23(29)22-14-13-21(31-22)17-6-5-15-25-16-17)20-11-9-19(10-12-20)27-24(30)26-18-7-3-2-4-8-18/h2-16H,1H3,(H2,26,27,30).
What are the key properties of N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide?
N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 70194000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).