3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide

C17H17ClN2O2S — CID 27312033

IUPAC3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2S/c18-14-8-4-5-9-15(14)23-12-17(22)20(11-10-16(19)21)13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)
InChIKeyIGDXENAMLKZSHQ-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.34
Rot. Bonds7

About 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide

3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide (PubChem CID 27312033) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
PubChem CID27312033
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O2S/c18-14-8-4-5-9-15(14)23-12-17(22)20(11-10-16(19)21)13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21)
InChIKeyIGDXENAMLKZSHQ-UHFFFAOYSA-N
XLogP3.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
CID 51263825
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide
CID 27312364
3-(N-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-methoxyanilino)propanamide
CID 24526878
3-(N-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
CID 33014659
3-[[2-(2-chlorophenyl)sulfanylacetyl]-propan-2-ylamino]propanoic acid
CID 60831942
4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
CID 119275169
7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
CID 119696693
2-(2-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652550
3-(N-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]anilino)propanamide
CID 24527121
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55934449
3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide
CID 27351178

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide (CID 27312033) is 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide is NC(=O)CCN(C(=O)CSc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide?
The InChIKey is IGDXENAMLKZSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c18-14-8-4-5-9-15(14)23-12-17(22)20(11-10-16(19)21)13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,21).
What are the key properties of 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide?
3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide has a molecular weight of 348.86 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide is sourced from PubChem (CID 27312033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).