2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide

C16H26N2O3S — CID 46515920

IUPAC2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C16H26N2O3S/c1-11(2)6-5-7-13(4)18-16(19)15-10-14(22(17,20)21)9-8-12(15)3/h8-11,13H,5-7H2,1-4H3,(H,18,19)(H2,17,20,21)
InChIKeyRTCZNSDPSHDUPM-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.59
Rot. Bonds7

About 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide

2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide (PubChem CID 46515920) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
PubChem CID46515920
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C16H26N2O3S/c1-11(2)6-5-7-13(4)18-16(19)15-10-14(22(17,20)21)9-8-12(15)3/h8-11,13H,5-7H2,1-4H3,(H,18,19)(H2,17,20,21)
InChIKeyRTCZNSDPSHDUPM-UHFFFAOYSA-N
XLogP2.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
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2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
CID 115326819
[2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 43033083
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
N-hex-1-yn-3-yl-2-methyl-5-sulfamoylbenzamide
CID 103528408
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 46608312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide (CID 46515920) is 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)CCCC(C)C.
What is the InChIKey of 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is RTCZNSDPSHDUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11(2)6-5-7-13(4)18-16(19)15-10-14(22(17,20)21)9-8-12(15)3/h8-11,13H,5-7H2,1-4H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide?
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 326.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 46515920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).