1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea

C14H23N3O3S — CID 41465627

IUPAC1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NCc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-11(2)7-8-15-14(18)16-10-12-5-4-6-13(9-12)17-21(3,19)20/h4-6,9,11,17H,7-8,10H2,1-3H3,(H2,15,16,18)
InChIKeyRSYDLWVNKIQMSL-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.90
Rot. Bonds7

About 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea

1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea (PubChem CID 41465627) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea
PubChem CID41465627
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NCc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C14H23N3O3S/c1-11(2)7-8-15-14(18)16-10-12-5-4-6-13(9-12)17-21(3,19)20/h4-6,9,11,17H,7-8,10H2,1-3H3,(H2,15,16,18)
InChIKeyRSYDLWVNKIQMSL-UHFFFAOYSA-N
XLogP1.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
methyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
CID 47039865
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 41465212
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 17460566
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 16608992
N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 47076520
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]urea
CID 16962329
N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide
CID 38441548
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]propanoic acid
CID 119348801
2-methyl-4-[[3-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 80540752

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea (CID 41465627) is 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea is CC(C)CCNC(=O)NCc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea?
The InChIKey is RSYDLWVNKIQMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11(2)7-8-15-14(18)16-10-12-5-4-6-13(9-12)17-21(3,19)20/h4-6,9,11,17H,7-8,10H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea?
1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea has a molecular weight of 313.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 41465627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).