[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium

C19H32N3O3S+ — CID 7406873

IUPAC[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CCCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-3-15(2)22-26(24,25)18-12-10-17(11-13-18)21-19(23)14-20-16-8-6-4-5-7-9-16/h10-13,15-16,20,22H,3-9,14H2,1-2H3,(H,21,23)/p+1/t15-/m1/s1
InChIKeyYQIUGVUSVMVBCV-OAHLLOKOSA-O
MW382.55 g/mol
LogP1.99
Rot. Bonds8

About [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium

[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium (PubChem CID 7406873) has the molecular formula C19H32N3O3S+ and a molecular weight of 382.55 g/mol. Its IUPAC name is [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium.

Molecular Properties

Compound Name[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium
PubChem CID7406873
Molecular FormulaC19H32N3O3S+
Molecular Weight382.55 g/mol
Exact Mass382.22
IUPAC Name[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CCCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-3-15(2)22-26(24,25)18-12-10-17(11-13-18)21-19(23)14-20-16-8-6-4-5-7-9-16/h10-13,15-16,20,22H,3-9,14H2,1-2H3,(H,21,23)/p+1/t15-/m1/s1
InChIKeyYQIUGVUSVMVBCV-OAHLLOKOSA-O
XLogP1.99
TPSA91.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium with MolForge

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Related Compounds

cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 7216647
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-2-(cyclopentylamino)acetamide
CID 1460470
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-piperidin-1-ylacetamide
CID 51686284
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 6971323
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 3155135
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-ethoxyacetamide
CID 4530095
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
(3S)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 7336952
cyclopentyl-[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]azanium
CID 7406351
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 43877406

Frequently Asked Questions

What is the IUPAC name of [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium?
The IUPAC name of [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium (CID 7406873) is [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium.
What is the SMILES notation for [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium?
The canonical SMILES for [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium is CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CCCCCC2)cc1.
What is the InChIKey of [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium?
The InChIKey is YQIUGVUSVMVBCV-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H31N3O3S/c1-3-15(2)22-26(24,25)18-12-10-17(11-13-18)21-19(23)14-20-16-8-6-4-5-7-9-16/h10-13,15-16,20,22H,3-9,14H2,1-2H3,(H,21,23)/p+1/t15-/m1/s1.
What are the key properties of [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium?
[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium has a molecular weight of 382.55 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium is sourced from PubChem (CID 7406873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).