(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide

C24H27N3O2S — CID 9030001

IUPAC(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESC[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O2S/c1-18(25-23(22-8-5-17-30-22)19-6-3-2-4-7-19)24(28)26-20-9-11-21(12-10-20)27-13-15-29-16-14-27/h2-12,17-18,23,25H,13-16H2,1H3,(H,26,28)/t18-,23-/m0/s1
InChIKeyDHHRHPPXRPFARM-MBSDFSHPSA-N
MW421.57 g/mol
LogP4.29
Rot. Bonds7

About (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide

(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide (PubChem CID 9030001) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
PubChem CID9030001
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
SMILESC[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O2S/c1-18(25-23(22-8-5-17-30-22)19-6-3-2-4-7-19)24(28)26-20-9-11-21(12-10-20)27-13-15-29-16-14-27/h2-12,17-18,23,25H,13-16H2,1H3,(H,26,28)/t18-,23-/m0/s1
InChIKeyDHHRHPPXRPFARM-MBSDFSHPSA-N
XLogP4.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
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(2R)-N-(4-acetamidophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051953
(2S)-N-(4-acetamidophenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9051950
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
(2S)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8866707
2-[[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411253
(2R)-N-(2-phenylphenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051044
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide (CID 9030001) is (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide is C[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
The InChIKey is DHHRHPPXRPFARM-MBSDFSHPSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-18(25-23(22-8-5-17-30-22)19-6-3-2-4-7-19)24(28)26-20-9-11-21(12-10-20)27-13-15-29-16-14-27/h2-12,17-18,23,25H,13-16H2,1H3,(H,26,28)/t18-,23-/m0/s1.
What are the key properties of (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide?
(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide has a molecular weight of 421.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 9030001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).