3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate

C15H16N2O3S — CID 71987891

IUPAC3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate
SMILESNC(=O)NCCCOC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H16N2O3S/c16-15(19)17-8-4-9-20-14(18)13-12(7-10-21-13)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H3,16,17,19)
InChIKeyKDMPPMWLDPPRCQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.63
Rot. Bonds6

About 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate

3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate (PubChem CID 71987891) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Name3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate
PubChem CID71987891
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate
SMILESNC(=O)NCCCOC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H16N2O3S/c16-15(19)17-8-4-9-20-14(18)13-12(7-10-21-13)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H3,16,17,19)
InChIKeyKDMPPMWLDPPRCQ-UHFFFAOYSA-N
XLogP2.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(carbamoylamino)propyl 3-ethylthiophene-2-carboxylate
CID 71987902
benzyl 3-phenylthiophene-2-carboxylate
CID 175107738
3-pyrazol-1-ylpropyl 3-phenylthiophene-2-carboxylate
CID 86900949
N-(4-phenoxybutyl)-3-phenylthiophene-2-carboxamide
CID 31671521
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenylthiophene-2-carboxylate
CID 30995237
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
CID 60656755
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
(2-phenylphenyl)methylurea
CID 67020414
tert-butyl N-cyclopropyl-N-[3-[(3-phenylthiophene-2-carbonyl)amino]propyl]carbamate
CID 60518663

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate?
The IUPAC name of 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate (CID 71987891) is 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate.
What is the SMILES notation for 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate?
The canonical SMILES for 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate is NC(=O)NCCCOC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate?
The InChIKey is KDMPPMWLDPPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-15(19)17-8-4-9-20-14(18)13-12(7-10-21-13)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9H2,(H3,16,17,19).
What are the key properties of 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate?
3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)propyl 3-phenylthiophene-2-carboxylate is sourced from PubChem (CID 71987891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).