(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide

C18H28ClN3O3S — CID 9460403

IUPAC(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCCCCCC1
InChIInChI=1S/C18H28ClN3O3S/c1-14(22-11-7-5-4-6-8-12-22)18(23)20-15-9-10-16(19)17(13-15)26(24,25)21(2)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyQBNFCSGPRXOWSD-CQSZACIVSA-N
MW401.96 g/mol
LogP3.18
Rot. Bonds5

About (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide

(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 9460403) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID9460403
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCCCCCC1
InChIInChI=1S/C18H28ClN3O3S/c1-14(22-11-7-5-4-6-8-12-22)18(23)20-15-9-10-16(19)17(13-15)26(24,25)21(2)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeyQBNFCSGPRXOWSD-CQSZACIVSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248339
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CID 55499698
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 93235525
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 55845623
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide
CID 95275291
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250051
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CID 46630970
(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496
2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 51167641
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 18093868
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide (CID 9460403) is (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide is C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCCCCCC1.
What is the InChIKey of (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is QBNFCSGPRXOWSD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-14(22-11-7-5-4-6-8-12-22)18(23)20-15-9-10-16(19)17(13-15)26(24,25)21(2)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 401.96 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9460403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).