N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide

C19H22ClN3O4S — CID 92675184

IUPACN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C19H22ClN3O4S/c1-4-12(2)21-18(24)14-7-5-6-8-17(14)22-19(25)15-11-13(9-10-16(15)20)23-28(3,26)27/h5-12,23H,4H2,1-3H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyXVIQOUBJSZXBAO-LBPRGKRZSA-N
MW423.92 g/mol
LogP3.49
Rot. Bonds7

About N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide (PubChem CID 92675184) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
PubChem CID92675184
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC NameN-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C19H22ClN3O4S/c1-4-12(2)21-18(24)14-7-5-6-8-17(14)22-19(25)15-11-13(9-10-16(15)20)23-28(3,26)27/h5-12,23H,4H2,1-3H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyXVIQOUBJSZXBAO-LBPRGKRZSA-N
XLogP3.49
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776
2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide
CID 28631283
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide
CID 100520474
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100568601
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932
3-(azepan-1-ylsulfonyl)-N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-chlorobenzamide
CID 41032131

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide (CID 92675184) is N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide?
The InChIKey is XVIQOUBJSZXBAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-4-12(2)21-18(24)14-7-5-6-8-17(14)22-19(25)15-11-13(9-10-16(15)20)23-28(3,26)27/h5-12,23H,4H2,1-3H3,(H,21,24)(H,22,25)/t12-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide?
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide has a molecular weight of 423.92 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide is sourced from PubChem (CID 92675184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).