N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide

C19H24N2O2S — CID 60610285

IUPACN-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide
SMILESCC(C)(CC(=O)NCCCNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,15-8-4-3-5-9-15)14-17(22)20-11-7-12-21-18(23)16-10-6-13-24-16/h3-6,8-10,13H,7,11-12,14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYKVDRKDYODHKON-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.35
Rot. Bonds8

About N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide

N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide (PubChem CID 60610285) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide
PubChem CID60610285
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide
SMILESCC(C)(CC(=O)NCCCNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-19(2,15-8-4-3-5-9-15)14-17(22)20-11-7-12-21-18(23)16-10-6-13-24-16/h3-6,8-10,13H,7,11-12,14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYKVDRKDYODHKON-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 111334739
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874
N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764489
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024
N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide
CID 111430825

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide (CID 60610285) is N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide is CC(C)(CC(=O)NCCCNC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide?
The InChIKey is YKVDRKDYODHKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-19(2,15-8-4-3-5-9-15)14-17(22)20-11-7-12-21-18(23)16-10-6-13-24-16/h3-6,8-10,13H,7,11-12,14H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide?
N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 60610285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).