N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide

C14H21N3O4S — CID 108520363

IUPACN-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCC(C)CCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O4S/c1-10(2)7-8-16-13(18)14(19)17-9-11-3-5-12(6-4-11)22(15,20)21/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)(H2,15,20,21)
InChIKeyJSONOGUJUXIULR-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.11
Rot. Bonds6

About N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide

N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide (PubChem CID 108520363) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
PubChem CID108520363
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCC(C)CCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O4S/c1-10(2)7-8-16-13(18)14(19)17-9-11-3-5-12(6-4-11)22(15,20)21/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)(H2,15,20,21)
InChIKeyJSONOGUJUXIULR-UHFFFAOYSA-N
XLogP0.11
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108510962
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
(2S)-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 939163
2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 3655603
N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108517755
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The IUPAC name of N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide (CID 108520363) is N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide.
What is the SMILES notation for N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The canonical SMILES for N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide is CC(C)CCNC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The InChIKey is JSONOGUJUXIULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10(2)7-8-16-13(18)14(19)17-9-11-3-5-12(6-4-11)22(15,20)21/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)(H2,15,20,21).
What are the key properties of N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide?
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide has a molecular weight of 327.41 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide is sourced from PubChem (CID 108520363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).