propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate

C17H18N2O4S — CID 841124

IUPACpropan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
SMILESCc1c(C(N)=O)sc(NC(=O)c2ccccc2)c1C(=O)OC(C)C
InChIInChI=1S/C17H18N2O4S/c1-9(2)23-17(22)12-10(3)13(14(18)20)24-16(12)19-15(21)11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,18,20)(H,19,21)
InChIKeySBNRJISRIRXCMQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.97
Rot. Bonds5

About propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate

propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate (PubChem CID 841124) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
PubChem CID841124
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Namepropan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
SMILESCc1c(C(N)=O)sc(NC(=O)c2ccccc2)c1C(=O)OC(C)C
InChIInChI=1S/C17H18N2O4S/c1-9(2)23-17(22)12-10(3)13(14(18)20)24-16(12)19-15(21)11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,18,20)(H,19,21)
InChIKeySBNRJISRIRXCMQ-UHFFFAOYSA-N
XLogP2.97
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225232
propan-2-yl 5-carbamoyl-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 19474529
dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1358488
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
methyl 5-carbamoyl-2-[(4-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225568
propan-2-yl 5-carbamoyl-2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 17372687
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
dipropan-2-yl 5-[(4-ethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5166720
propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate
CID 1009060
ethyl 2-[(4-bromobenzoyl)amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 1221975
propan-2-yl 5-carbamoyl-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 19474812
ethyl 5-carbamoyl-2-[[2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-4-methylthiophene-3-carboxylate
CID 5142902

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate (CID 841124) is propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate is Cc1c(C(N)=O)sc(NC(=O)c2ccccc2)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate?
The InChIKey is SBNRJISRIRXCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-9(2)23-17(22)12-10(3)13(14(18)20)24-16(12)19-15(21)11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,18,20)(H,19,21).
What are the key properties of propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate?
propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 841124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).