[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

C20H20ClN2OS+ — CID 9051205

IUPAC[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@@H]([NH2+][C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2OS/c1-14(20(24)23-17-11-9-16(21)10-12-17)22-19(18-8-5-13-25-18)15-6-3-2-4-7-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19-/m1/s1
InChIKeyLNNGKKOVCOLVFL-AUUYWEPGSA-O
MW371.91 g/mol
LogP4.08
Rot. Bonds6

About [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 9051205) has the molecular formula C20H20ClN2OS+ and a molecular weight of 371.91 g/mol. Its IUPAC name is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID9051205
Molecular FormulaC20H20ClN2OS+
Molecular Weight371.91 g/mol
Exact Mass371.10
IUPAC Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@@H]([NH2+][C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2OS/c1-14(20(24)23-17-11-9-16(21)10-12-17)22-19(18-8-5-13-25-18)15-6-3-2-4-7-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19-/m1/s1
InChIKeyLNNGKKOVCOLVFL-AUUYWEPGSA-O
XLogP4.08
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium with MolForge

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Related Compounds

[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050863
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051374
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051311
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051308
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863202
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868453
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052114
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9051967
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9052432
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9451661
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium (CID 9051205) is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium is C[C@@H]([NH2+][C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is LNNGKKOVCOLVFL-AUUYWEPGSA-O. The full InChI is InChI=1S/C20H19ClN2OS/c1-14(20(24)23-17-11-9-16(21)10-12-17)22-19(18-8-5-13-25-18)15-6-3-2-4-7-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19-/m1/s1.
What are the key properties of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 371.91 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 9051205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).