3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide

C14H21BrN2O3S — CID 120830071

IUPAC3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)C(C)CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O3S/c1-10(14(18)17-8-11(2)16-3)9-21(19,20)13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyWZBXAVPPOSAMJS-UHFFFAOYSA-N
MW377.30 g/mol
LogP1.58
Rot. Bonds7

About 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide

3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide (PubChem CID 120830071) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide
PubChem CID120830071
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)C(C)CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O3S/c1-10(14(18)17-8-11(2)16-3)9-21(19,20)13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyWZBXAVPPOSAMJS-UHFFFAOYSA-N
XLogP1.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829254
(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
CID 96537490
2-acetamido-3-(4-bromophenyl)sulfonylpropanoic acid
CID 64583509
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830337
1-bromo-4-(2-methylpropylsulfonyl)benzene
CID 56776816
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830330
3-(4-bromophenyl)sulfonyl-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 71856972
(2R)-3-(4-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 96537350
1-(4-bromophenyl)sulfonyl-N,3,3-trimethylbutan-2-amine
CID 64645057
(2R)-3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylpropanamide
CID 96537550
(2S)-3-(4-bromophenyl)sulfonyl-N-ethyl-2-methyl-N-(2-methylphenyl)propanamide
CID 96537482
1-(4-bromophenyl)sulfonylbutan-2-ol
CID 106584994

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide (CID 120830071) is 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide is CNC(C)CNC(=O)C(C)CS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide?
The InChIKey is WZBXAVPPOSAMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-10(14(18)17-8-11(2)16-3)9-21(19,20)13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide?
3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide has a molecular weight of 377.30 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-2-methyl-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120830071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).