2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide

C14H19BrN2O2S — CID 4562126

IUPAC2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(CSc1cccc(Br)c1)NC(C)=O
InChIInChI=1S/C14H19BrN2O2S/c1-3-7-16-14(19)13(17-10(2)18)9-20-12-6-4-5-11(15)8-12/h4-6,8,13H,3,7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWWIKVGRONQEHFZ-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.57
Rot. Bonds7

About 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide

2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide (PubChem CID 4562126) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide
PubChem CID4562126
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC Name2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(CSc1cccc(Br)c1)NC(C)=O
InChIInChI=1S/C14H19BrN2O2S/c1-3-7-16-14(19)13(17-10(2)18)9-20-12-6-4-5-11(15)8-12/h4-6,8,13H,3,7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWWIKVGRONQEHFZ-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 3972925
2-acetamido-3-(3-bromophenyl)sulfanyl-N-(2-hydroxypropyl)propanamide
CID 3657102
2-acetamido-3-(3-bromophenyl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 4267476
methyl 3-(3-bromophenyl)sulfanyl-2-(propylamino)propanoate
CID 55120204
N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 5180125
ethyl 3-(3-bromophenyl)sulfanyl-2-(ethylamino)propanoate
CID 62803023
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 3980341
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382
1-(3-bromophenyl)sulfanyl-4-methyl-N-propylpent-4-en-2-amine
CID 79184974
2-acetamido-N-benzyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 4544086
2-acetamido-3-(9-ethylcarbazol-3-yl)sulfanyl-N-heptylpropanamide
CID 4286433

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide?
The IUPAC name of 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide (CID 4562126) is 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide.
What is the SMILES notation for 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide?
The canonical SMILES for 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide is CCCNC(=O)C(CSc1cccc(Br)c1)NC(C)=O.
What is the InChIKey of 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide?
The InChIKey is WWIKVGRONQEHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-3-7-16-14(19)13(17-10(2)18)9-20-12-6-4-5-11(15)8-12/h4-6,8,13H,3,7,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide?
2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide has a molecular weight of 359.29 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide is sourced from PubChem (CID 4562126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).