2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide

C23H25N3OS — CID 91110780

IUPAC2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide
SMILES[H]/N=C(\C)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)C(N)Cc1cccs1
InChIInChI=1S/C23H25N3OS/c1-16(24)22(26-23(27)21(25)15-20-8-5-13-28-20)14-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-13,21-22,24H,14-15,25H2,1H3,(H,26,27)/b24-16+
InChIKeyONHRVDJBKUIYGD-LFVJCYFKSA-N
MW391.54 g/mol
LogP4.05
Rot. Bonds8

About 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide

2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 91110780) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID91110780
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide
SMILES[H]/N=C(\C)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)C(N)Cc1cccs1
InChIInChI=1S/C23H25N3OS/c1-16(24)22(26-23(27)21(25)15-20-8-5-13-28-20)14-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-13,21-22,24H,14-15,25H2,1H3,(H,26,27)/b24-16+
InChIKeyONHRVDJBKUIYGD-LFVJCYFKSA-N
XLogP4.05
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-(2-fluoropropan-2-yl)phenyl]-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]propanamide
CID 90738442
2-amino-3-(4-tert-butylphenyl)-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]but-3-enamide
CID 91408191
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
(2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide
CID 46883428
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide
CID 135306568
4-[[(2R)-1-[[(2S)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]pent-4-enamide
CID 143947067
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide (CID 91110780) is 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide is [H]/N=C(\C)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)C(N)Cc1cccs1.
What is the InChIKey of 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is ONHRVDJBKUIYGD-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-16(24)22(26-23(27)21(25)15-20-8-5-13-28-20)14-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-13,21-22,24H,14-15,25H2,1H3,(H,26,27)/b24-16+.
What are the key properties of 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide?
2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 391.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-imino-1-(4-phenylphenyl)butan-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 91110780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).