2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide

C13H21N3O3S — CID 60652957

IUPAC2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCCC(C)NCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-3-10(2)15-9-13(17)16-8-11-4-6-12(7-5-11)20(14,18)19/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeySOODAHJGLBDCDP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.34
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 60652957) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID60652957
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCCC(C)NCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-3-10(2)15-9-13(17)16-8-11-4-6-12(7-5-11)20(14,18)19/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeySOODAHJGLBDCDP-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
2-(prop-2-ynylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 78909532
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N-butan-2-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 108993382
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
3,5-dimethyl-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]benzamide
CID 2468601
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 60652957) is 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide is CCC(C)NCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is SOODAHJGLBDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-10(2)15-9-13(17)16-8-11-4-6-12(7-5-11)20(14,18)19/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)(H2,14,18,19).
What are the key properties of 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 60652957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).