1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea

C17H19N3O5S — CID 3263566

IUPAC1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea
SMILESCOc1ccc(NC(=O)NC(=O)N(C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H19N3O5S/c1-12-11-13(25-3)9-10-15(12)18-16(21)19-17(22)20(2)26(23,24)14-7-5-4-6-8-14/h4-11H,1-3H3,(H2,18,19,21,22)
InChIKeyXHRDVVCOEKBPSY-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.57
Rot. Bonds4

About 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea

1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea (PubChem CID 3263566) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea
PubChem CID3263566
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea
SMILESCOc1ccc(NC(=O)NC(=O)N(C)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H19N3O5S/c1-12-11-13(25-3)9-10-15(12)18-16(21)19-17(22)20(2)26(23,24)14-7-5-4-6-8-14/h4-11H,1-3H3,(H2,18,19,21,22)
InChIKeyXHRDVVCOEKBPSY-UHFFFAOYSA-N
XLogP2.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 3543556
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 62871537
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-(4-methoxy-2-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302256
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 1317158
2-(2-hydroxyphenyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 78919759
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 62871729

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea?
The IUPAC name of 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea (CID 3263566) is 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea?
The canonical SMILES for 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea is COc1ccc(NC(=O)NC(=O)N(C)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea?
The InChIKey is XHRDVVCOEKBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12-11-13(25-3)9-10-15(12)18-16(21)19-17(22)20(2)26(23,24)14-7-5-4-6-8-14/h4-11H,1-3H3,(H2,18,19,21,22).
What are the key properties of 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea?
1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea has a molecular weight of 377.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[(4-methoxy-2-methylphenyl)carbamoyl]-1-methylurea is sourced from PubChem (CID 3263566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).