1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea

C19H19N3O3S2 — CID 31075764

IUPAC1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
SMILESCc1cc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)s1
InChIInChI=1S/C19H19N3O3S2/c1-13-11-18(14(2)26-13)27(24,25)22-17-10-6-9-16(12-17)21-19(23)20-15-7-4-3-5-8-15/h3-12,22H,1-2H3,(H2,20,21,23)
InChIKeyMJXRELWWAYJIDS-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.81
Rot. Bonds5

About 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea

1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea (PubChem CID 31075764) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
PubChem CID31075764
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
SMILESCc1cc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)s1
InChIInChI=1S/C19H19N3O3S2/c1-13-11-18(14(2)26-13)27(24,25)22-17-10-6-9-16(12-17)21-19(23)20-15-7-4-3-5-8-15/h3-12,22H,1-2H3,(H2,20,21,23)
InChIKeyMJXRELWWAYJIDS-UHFFFAOYSA-N
XLogP4.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
3,4-dimethyl-5-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid
CID 24622089
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750
1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 138041549
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512082

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea (CID 31075764) is 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea is Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)s1.
What is the InChIKey of 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea?
The InChIKey is MJXRELWWAYJIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-13-11-18(14(2)26-13)27(24,25)22-17-10-6-9-16(12-17)21-19(23)20-15-7-4-3-5-8-15/h3-12,22H,1-2H3,(H2,20,21,23).
What are the key properties of 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea?
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea has a molecular weight of 401.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea is sourced from PubChem (CID 31075764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).