N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H22BrClN2OS — CID 119782383

IUPACN-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C14H21BrN2OS.ClH/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-12(15)5-7-13;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18);1H
InChIKeyVUQKBPSYFSYEGX-UHFFFAOYSA-N
MW381.77 g/mol
LogP3.32
Rot. Bonds7

About N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119782383) has the molecular formula C14H22BrClN2OS and a molecular weight of 381.77 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119782383
Molecular FormulaC14H22BrClN2OS
Molecular Weight381.77 g/mol
Exact Mass380.03
IUPAC NameN-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC(C)Sc1ccc(Br)cc1.Cl
InChIInChI=1S/C14H21BrN2OS.ClH/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-12(15)5-7-13;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18);1H
InChIKeyVUQKBPSYFSYEGX-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.77
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
CID 119322850
N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119322845
2-[2-(4-bromophenyl)sulfanylpropylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184859
N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119322831
(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
CID 119335478
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119762963
(2R,3S)-N-[2-(4-bromophenyl)sulfanylpropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932287
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
N-[2-(4-bromophenyl)sulfanylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 86904362
(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide
CID 95240217
2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
CID 71994113

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119782383) is N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCC(C)Sc1ccc(Br)cc1.Cl.
What is the InChIKey of N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is VUQKBPSYFSYEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS.ClH/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-12(15)5-7-13;/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 381.77 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119782383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).