(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

C17H26ClN3O4S — CID 92764440

IUPAC(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C17H26ClN3O4S/c1-13-4-5-15(18)12-16(13)21(26(3,23)24)14(2)17(22)19-6-7-20-8-10-25-11-9-20/h4-5,12,14H,6-11H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyUNOHOINNSRVBQT-CQSZACIVSA-N
MW403.93 g/mol
LogP1.25
Rot. Bonds7

About (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 92764440) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID92764440
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C17H26ClN3O4S/c1-13-4-5-15(18)12-16(13)21(26(3,23)24)14(2)17(22)19-6-7-20-8-10-25-11-9-20/h4-5,12,14H,6-11H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyUNOHOINNSRVBQT-CQSZACIVSA-N
XLogP1.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 50944624
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190417
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 22275752
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 132659439
(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 100520391
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190415
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125070911
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189180
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide
CID 125064270
(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 41466602
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 132657785

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 92764440) is (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is UNOHOINNSRVBQT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26ClN3O4S/c1-13-4-5-15(18)12-16(13)21(26(3,23)24)14(2)17(22)19-6-7-20-8-10-25-11-9-20/h4-5,12,14H,6-11H2,1-3H3,(H,19,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 403.93 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 92764440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).