2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide

C19H17N3O2S — CID 118729460

IUPAC2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-7-9-14(10-8-12)21-19(24)22-18-15(17(20)23)11-16(25-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyDBIAKDYDOUVVHQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.47
Rot. Bonds4

About 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide

2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide (PubChem CID 118729460) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
PubChem CID118729460
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C19H17N3O2S/c1-12-7-9-14(10-8-12)21-19(24)22-18-15(17(20)23)11-16(25-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyDBIAKDYDOUVVHQ-UHFFFAOYSA-N
XLogP4.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
CID 134815708
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5-phenylthiophene-3-carboxamide
CID 16857906
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857911
N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16828821
2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880
2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857829
(2R)-N-(3-carbamoyl-5-phenylthiophen-2-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27452148
N-(3-carbamoyl-5-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
CID 16857844
5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
CID 3534907
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate
CID 11795959

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide (CID 118729460) is 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide is Cc1ccc(NC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide?
The InChIKey is DBIAKDYDOUVVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-7-9-14(10-8-12)21-19(24)22-18-15(17(20)23)11-16(25-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,23)(H2,21,22,24).
What are the key properties of 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide?
2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 118729460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).