N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide

C16H26N2O3S — CID 2286865

IUPACN-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCCC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(2)6-5-7-13(3)18-22(20,21)16-10-8-15(9-11-16)17-14(4)19/h8-13,18H,5-7H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyKJKIMODDWQINBB-ZDUSSCGKSA-N
MW326.46 g/mol
LogP3.14
Rot. Bonds8

About N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2286865) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID2286865
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCCC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(2)6-5-7-13(3)18-22(20,21)16-10-8-15(9-11-16)17-14(4)19/h8-13,18H,5-7H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyKJKIMODDWQINBB-ZDUSSCGKSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716813
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(7-methyloctyl)propanamide
CID 36618447
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide (CID 2286865) is N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCCC(C)C)cc1.
What is the InChIKey of N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is KJKIMODDWQINBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(2)6-5-7-13(3)18-22(20,21)16-10-8-15(9-11-16)17-14(4)19/h8-13,18H,5-7H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 326.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2286865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).