propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

C17H20N2O3S — CID 3680511

IUPACpropan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
SMILESCc1ccccc1NC(=O)c1sc(N)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C17H20N2O3S/c1-9(2)22-17(21)13-11(4)14(23-15(13)18)16(20)19-12-8-6-5-7-10(12)3/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyROLRTDFPMGLHBU-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.76
Rot. Bonds4

About propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (PubChem CID 3680511) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
PubChem CID3680511
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Namepropan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
SMILESCc1ccccc1NC(=O)c1sc(N)c(C(=O)OC(C)C)c1C
InChIInChI=1S/C17H20N2O3S/c1-9(2)22-17(21)13-11(4)14(23-15(13)18)16(20)19-12-8-6-5-7-10(12)3/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyROLRTDFPMGLHBU-UHFFFAOYSA-N
XLogP3.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide
CID 162787157
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274
methyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 694717
methyl 2-amino-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 808900
propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate
CID 1009060
propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841124
ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylate
CID 1123323
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
CID 167489018
ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate
CID 2233010
5-amino-4-cyano-N-(2-methoxyphenyl)-3-methylthiophene-2-carboxamide
CID 831625
ethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1123345
2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (CID 3680511) is propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is Cc1ccccc1NC(=O)c1sc(N)c(C(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The InChIKey is ROLRTDFPMGLHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-9(2)22-17(21)13-11(4)14(23-15(13)18)16(20)19-12-8-6-5-7-10(12)3/h5-9H,18H2,1-4H3,(H,19,20).
What are the key properties of propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is sourced from PubChem (CID 3680511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).