2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide

C19H23N3O3S — CID 2553970

IUPAC2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C19H23N3O3S/c1-11(2)10-15(21-17(24)13-7-5-4-6-12(13)3)18(25)22-19-14(16(20)23)8-9-26-19/h4-9,11,15H,10H2,1-3H3,(H2,20,23)(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyBCBCZPHDJOKFTM-OAHLLOKOSA-N
MW373.48 g/mol
LogP2.94
Rot. Bonds7

About 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide (PubChem CID 2553970) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide
PubChem CID2553970
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C19H23N3O3S/c1-11(2)10-15(21-17(24)13-7-5-4-6-12(13)3)18(25)22-19-14(16(20)23)8-9-26-19/h4-9,11,15H,10H2,1-3H3,(H2,20,23)(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyBCBCZPHDJOKFTM-OAHLLOKOSA-N
XLogP2.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
CID 55612429
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
N-[1-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55908575
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
CID 47287881
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 2438696
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 43010152
N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide (CID 2553970) is 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide is Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide?
The InChIKey is BCBCZPHDJOKFTM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-11(2)10-15(21-17(24)13-7-5-4-6-12(13)3)18(25)22-19-14(16(20)23)8-9-26-19/h4-9,11,15H,10H2,1-3H3,(H2,20,23)(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2553970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).