1-(benzenesulfonamido)-3-ethyl-1-methylurea

C10H15N3O3S — CID 75524147

IUPAC1-(benzenesulfonamido)-3-ethyl-1-methylurea
SMILESCCNC(=O)N(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15N3O3S/c1-3-11-10(14)13(2)12-17(15,16)9-7-5-4-6-8-9/h4-8,12H,3H2,1-2H3,(H,11,14)
InChIKeyCTMLEKLLSZNXDX-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.54
Rot. Bonds4

About 1-(benzenesulfonamido)-3-ethyl-1-methylurea

1-(benzenesulfonamido)-3-ethyl-1-methylurea (PubChem CID 75524147) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(benzenesulfonamido)-3-ethyl-1-methylurea.

Molecular Properties

Compound Name1-(benzenesulfonamido)-3-ethyl-1-methylurea
PubChem CID75524147
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-(benzenesulfonamido)-3-ethyl-1-methylurea
SMILESCCNC(=O)N(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15N3O3S/c1-3-11-10(14)13(2)12-17(15,16)9-7-5-4-6-8-9/h4-8,12H,3H2,1-2H3,(H,11,14)
InChIKeyCTMLEKLLSZNXDX-UHFFFAOYSA-N
XLogP0.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(ethylcarbamoyl)-1-methyl-3-phenylurea
CID 12876426
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide
CID 103308749
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
N-ethylbenzamide
CID 160772566
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea
CID 15716436
[benzenesulfonyl(methyl)amino]urea
CID 172749121
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703
N-ethylbenzamide;hydrochloride
CID 57444995
3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650130
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamido)-3-ethyl-1-methylurea?
The IUPAC name of 1-(benzenesulfonamido)-3-ethyl-1-methylurea (CID 75524147) is 1-(benzenesulfonamido)-3-ethyl-1-methylurea.
What is the SMILES notation for 1-(benzenesulfonamido)-3-ethyl-1-methylurea?
The canonical SMILES for 1-(benzenesulfonamido)-3-ethyl-1-methylurea is CCNC(=O)N(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonamido)-3-ethyl-1-methylurea?
The InChIKey is CTMLEKLLSZNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-11-10(14)13(2)12-17(15,16)9-7-5-4-6-8-9/h4-8,12H,3H2,1-2H3,(H,11,14).
What are the key properties of 1-(benzenesulfonamido)-3-ethyl-1-methylurea?
1-(benzenesulfonamido)-3-ethyl-1-methylurea has a molecular weight of 257.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamido)-3-ethyl-1-methylurea is sourced from PubChem (CID 75524147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).