3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide

C19H18N2O3S2 — CID 20775712

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(N)=O)c(C)c1
InChIInChI=1S/C19H18N2O3S2/c1-12-8-9-17(13(2)10-12)26(23,24)21-15-11-16(25-18(15)19(20)22)14-6-4-3-5-7-14/h3-11,21H,1-2H3,(H2,20,22)
InChIKeyYNMJDBBFKFXKRC-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.93
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide

3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide (PubChem CID 20775712) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
PubChem CID20775712
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(N)=O)c(C)c1
InChIInChI=1S/C19H18N2O3S2/c1-12-8-9-17(13(2)10-12)26(23,24)21-15-11-16(25-18(15)19(20)22)14-6-4-3-5-7-14/h3-11,21H,1-2H3,(H2,20,22)
InChIKeyYNMJDBBFKFXKRC-UHFFFAOYSA-N
XLogP3.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide (CID 20775712) is 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(N)=O)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide?
The InChIKey is YNMJDBBFKFXKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-12-8-9-17(13(2)10-12)26(23,24)21-15-11-16(25-18(15)19(20)22)14-6-4-3-5-7-14/h3-11,21H,1-2H3,(H2,20,22).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 20775712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).