N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate

C19H22N3O4S- — CID 2236713

IUPACN-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate
SMILESCC[C@@H](C)/N=C(/[O-])c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-4-13(2)20-18(23)14-9-5-7-11-16(14)21-19(24)15-10-6-8-12-17(15)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24)/p-1/t13-/m1/s1
InChIKeyBDKDPMZRSIRTCL-CYBMUJFWSA-M
MW388.47 g/mol
LogP2.22
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate

N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate (PubChem CID 2236713) has the molecular formula C19H22N3O4S- and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate
PubChem CID2236713
Molecular FormulaC19H22N3O4S-
Molecular Weight388.47 g/mol
Exact Mass388.13
IUPAC NameN-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate
SMILESCC[C@@H](C)/N=C(/[O-])c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-4-13(2)20-18(23)14-9-5-7-11-16(14)21-19(24)15-10-6-8-12-17(15)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24)/p-1/t13-/m1/s1
InChIKeyBDKDPMZRSIRTCL-CYBMUJFWSA-M
XLogP2.22
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(methanesulfonamido)-N-[(2S)-pentan-2-yl]benzenecarboximidate
CID 2224989
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 139887400
methyl 3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylbenzoate
CID 2974111
N-(5-fluoro-2-methylphenyl)-2-(methanesulfonamido)benzamide
CID 51163852
N-(3-amino-2-methylpropyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119996445
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate (CID 2236713) is N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate is CC[C@@H](C)/N=C(/[O-])c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate?
The InChIKey is BDKDPMZRSIRTCL-CYBMUJFWSA-M. The full InChI is InChI=1S/C19H23N3O4S/c1-4-13(2)20-18(23)14-9-5-7-11-16(14)21-19(24)15-10-6-8-12-17(15)22-27(3,25)26/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24)/p-1/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate?
N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate has a molecular weight of 388.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate is sourced from PubChem (CID 2236713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).