(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide

C14H20BrN3O4S — CID 8751709

IUPAC(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O4S/c1-3-16-14(20)10(2)18-13(19)8-9-17-23(21,22)12-6-4-11(15)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10-/m1/s1
InChIKeyNOKMEZIRVUSIHT-SNVBAGLBSA-N
MW406.30 g/mol
LogP0.76
Rot. Bonds8

About (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide

(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide (PubChem CID 8751709) has the molecular formula C14H20BrN3O4S and a molecular weight of 406.30 g/mol. Its IUPAC name is (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
PubChem CID8751709
Molecular FormulaC14H20BrN3O4S
Molecular Weight406.30 g/mol
Exact Mass405.04
IUPAC Name(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O4S/c1-3-16-14(20)10(2)18-13(19)8-9-17-23(21,22)12-6-4-11(15)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10-/m1/s1
InChIKeyNOKMEZIRVUSIHT-SNVBAGLBSA-N
XLogP0.76
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 17411620
ethyl (3S)-3-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]butanoate
CID 99815138
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
3-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480766
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide (CID 8751709) is (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide?
The InChIKey is NOKMEZIRVUSIHT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20BrN3O4S/c1-3-16-14(20)10(2)18-13(19)8-9-17-23(21,22)12-6-4-11(15)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide?
(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide has a molecular weight of 406.30 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide is sourced from PubChem (CID 8751709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).