(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide

C20H19ClN2OS — CID 9051206

IUPAC(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESC[C@@H](N[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)/t14-,19-/m1/s1
InChIKeyLNNGKKOVCOLVFL-AUUYWEPGSA-N
MW370.91 g/mol
LogP5.11
Rot. Bonds6

About (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide

(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide (PubChem CID 9051206) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
PubChem CID9051206
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESC[C@@H](N[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)/t14-,19-/m1/s1
InChIKeyLNNGKKOVCOLVFL-AUUYWEPGSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
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(2R)-N-(4-acetamidophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051953
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
(2S)-N-(4-acetamidophenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051950
(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9030001
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051205
(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051044
(2R)-N-(4-chlorophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132361
(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide (CID 9051206) is (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide is C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The InChIKey is LNNGKKOVCOLVFL-AUUYWEPGSA-N. 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)/t14-,19-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide has a molecular weight of 370.91 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 9051206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).