2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

C16H23ClN2OS — CID 56509489

IUPAC2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C16H23ClN2OS/c1-13(21-15-7-5-14(17)6-8-15)16(20)18(2)11-12-19-9-3-4-10-19/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyLZEXKTPODULDOO-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 56509489) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID56509489
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C16H23ClN2OS/c1-13(21-15-7-5-14(17)6-8-15)16(20)18(2)11-12-19-9-3-4-10-19/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyLZEXKTPODULDOO-UHFFFAOYSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 56509989
2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509742
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148
2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 134046656
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 29132971
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 28631806
2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
2-(4-chlorophenyl)sulfanyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 55378447
2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031
3-[2-(4-bromophenyl)sulfanylpropanoyl-methylamino]propanoic acid
CID 119232893

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 56509489) is 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)N(C)CCN1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is LZEXKTPODULDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-13(21-15-7-5-14(17)6-8-15)16(20)18(2)11-12-19-9-3-4-10-19/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 326.89 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 56509489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).