3-methylpentyl N-(4-sulfamoylphenyl)carbamate

C13H20N2O4S — CID 135384691

IUPAC3-methylpentyl N-(4-sulfamoylphenyl)carbamate
SMILESCCC(C)CCOC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-10(2)8-9-19-13(16)15-11-4-6-12(7-5-11)20(14,17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyGRHFMTZUJULHPR-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.32
Rot. Bonds6

About 3-methylpentyl N-(4-sulfamoylphenyl)carbamate

3-methylpentyl N-(4-sulfamoylphenyl)carbamate (PubChem CID 135384691) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-methylpentyl N-(4-sulfamoylphenyl)carbamate.

Molecular Properties

Compound Name3-methylpentyl N-(4-sulfamoylphenyl)carbamate
PubChem CID135384691
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-methylpentyl N-(4-sulfamoylphenyl)carbamate
SMILESCCC(C)CCOC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-10(2)8-9-19-13(16)15-11-4-6-12(7-5-11)20(14,17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyGRHFMTZUJULHPR-UHFFFAOYSA-N
XLogP2.32
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Carbasulam
CID 15679
Propanamide, N-[4-(aminosulfonyl)phenyl]-2-methyl-
CID 3253857
Ethyl {4-[(acetylamino)sulfonyl]phenyl}carbamate
CID 874302
4-(Valproylamido)Benzenesulfonamide
CID 10266719
Carbamic acid, (4-(((2-hydroxyethyl)amino)sulfonyl)phenyl)-, methyl ester
CID 1714975
Carbamic acid, (4-(4-morpholinylsulfonyl)phenyl)-, ethyl ester
CID 3067696
Ethyl 4-[(benzylamino)sulfonyl]phenylcarbamate
CID 571682
2-ethyl-N-(4-sulfamoylphenyl)butyramide
CID 897592
2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 2904589
2-methyl-N-(4-sulfamoylphenyl)butyramide
CID 4476238
2-Isopropyl-3-methyl-N-(4-sulfamoylphenyl)butyramide
CID 46236928

Frequently Asked Questions

What is the IUPAC name of 3-methylpentyl N-(4-sulfamoylphenyl)carbamate?
The IUPAC name of 3-methylpentyl N-(4-sulfamoylphenyl)carbamate (CID 135384691) is 3-methylpentyl N-(4-sulfamoylphenyl)carbamate.
What is the SMILES notation for 3-methylpentyl N-(4-sulfamoylphenyl)carbamate?
The canonical SMILES for 3-methylpentyl N-(4-sulfamoylphenyl)carbamate is CCC(C)CCOC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-methylpentyl N-(4-sulfamoylphenyl)carbamate?
The InChIKey is GRHFMTZUJULHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-10(2)8-9-19-13(16)15-11-4-6-12(7-5-11)20(14,17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-methylpentyl N-(4-sulfamoylphenyl)carbamate?
3-methylpentyl N-(4-sulfamoylphenyl)carbamate has a molecular weight of 300.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentyl N-(4-sulfamoylphenyl)carbamate is sourced from PubChem (CID 135384691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).