2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide

C15H17N3O2S — CID 80550057

IUPAC2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)C(N)c1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-9(12(16)10-5-3-2-4-6-10)14(20)18-15-11(13(17)19)7-8-21-15/h2-9,12H,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyZSCMIWRBWBRCIA-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.12
Rot. Bonds5

About 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide

2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide (PubChem CID 80550057) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
PubChem CID80550057
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)C(N)c1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-9(12(16)10-5-3-2-4-6-10)14(20)18-15-11(13(17)19)7-8-21-15/h2-9,12H,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyZSCMIWRBWBRCIA-UHFFFAOYSA-N
XLogP2.12
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
CID 9445948
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248820
2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 7346644
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 8730419
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 78668010

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide (CID 80550057) is 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide is CC(C(=O)Nc1sccc1C(N)=O)C(N)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide?
The InChIKey is ZSCMIWRBWBRCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9(12(16)10-5-3-2-4-6-10)14(20)18-15-11(13(17)19)7-8-21-15/h2-9,12H,16H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide?
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 80550057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).