[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium

C16H20ClN2OS+ — CID 8769698

IUPAC[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2OS/c1-3-19(11-15-8-5-9-21-15)12(2)16(20)18-14-7-4-6-13(17)10-14/h4-10,12H,3,11H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1
InChIKeyUUMNYPFALHNWEQ-LBPRGKRZSA-O
MW323.87 g/mol
LogP2.83
Rot. Bonds6

About [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8769698) has the molecular formula C16H20ClN2OS+ and a molecular weight of 323.87 g/mol. Its IUPAC name is [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
PubChem CID8769698
Molecular FormulaC16H20ClN2OS+
Molecular Weight323.87 g/mol
Exact Mass323.10
IUPAC Name[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
SMILESCC[NH+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2OS/c1-3-19(11-15-8-5-9-21-15)12(2)16(20)18-14-7-4-6-13(17)10-14/h4-10,12H,3,11H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1
InChIKeyUUMNYPFALHNWEQ-LBPRGKRZSA-O
XLogP2.83
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718586
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium
CID 8718441
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516814
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
ethyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)azanium
CID 8718537
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516885
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 42843618
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51194882
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium (CID 8769698) is [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium is CC[NH+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is UUMNYPFALHNWEQ-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H19ClN2OS/c1-3-19(11-15-8-5-9-21-15)12(2)16(20)18-14-7-4-6-13(17)10-14/h4-10,12H,3,11H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1.
What are the key properties of [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium?
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 323.87 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-ethyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8769698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).