2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide

C21H25ClN2O4S — CID 35728362

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-16(7-8-17-5-3-2-4-6-17)23-21(25)19-15-18(9-10-20(19)22)29(26,27)24-11-13-28-14-12-24/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyQYDXONOEBOLFGY-INIZCTEOSA-N
MW436.96 g/mol
LogP3.11
Rot. Bonds7

About 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 35728362) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID35728362
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-16(7-8-17-5-3-2-4-6-17)23-21(25)19-15-18(9-10-20(19)22)29(26,27)24-11-13-28-14-12-24/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyQYDXONOEBOLFGY-INIZCTEOSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43875346
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882561
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99968948
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 100507560
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882575
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 28590537
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 35728362) is 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is QYDXONOEBOLFGY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-16(7-8-17-5-3-2-4-6-17)23-21(25)19-15-18(9-10-20(19)22)29(26,27)24-11-13-28-14-12-24/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 436.96 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 35728362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).