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

C18H20N2O4S — CID 1009060

IUPACpropan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate
SMILESCc1ccccc1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(N)=O
InChIInChI=1S/C18H20N2O4S/c1-9(2)24-18(23)14-11(4)13(15(19)21)17(25-14)20-16(22)12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H2,19,21)(H,20,22)
InChIKeyCMQLVFFXPDNMKF-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.28
Rot. Bonds5

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

propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate (PubChem CID 1009060) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate
PubChem CID1009060
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Namepropan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate
SMILESCc1ccccc1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(N)=O
InChIInChI=1S/C18H20N2O4S/c1-9(2)24-18(23)14-11(4)13(15(19)21)17(25-14)20-16(22)12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H2,19,21)(H,20,22)
InChIKeyCMQLVFFXPDNMKF-UHFFFAOYSA-N
XLogP3.28
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate
CID 143196362
ethyl 5-[(2-bromobenzoyl)amino]-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 7521196
propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841124
ethyl 4-carbamoyl-5-[(2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 7521227
ethyl 5-carbamoyl-2-[[2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-4-methylthiophene-3-carboxylate
CID 5142902
propan-2-yl 4-carbamoyl-3-methyl-5-(3-thiophen-2-ylprop-2-enoylamino)thiophene-2-carboxylate
CID 2862870
trans-(1S,2S)-2-[(3-carbamoyl-4-methyl-5-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7026968
2-[(3-carbamoyl-4-methyl-5-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 11838132
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1358488
4-O-ethyl 2-O-propan-2-yl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 1188253
ethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1123345

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate (CID 1009060) is propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate is Cc1ccccc1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(N)=O.
What is the InChIKey of propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is CMQLVFFXPDNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-9(2)24-18(23)14-11(4)13(15(19)21)17(25-14)20-16(22)12-8-6-5-7-10(12)3/h5-9H,1-4H3,(H2,19,21)(H,20,22).
What are the key properties of propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate?
propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 1009060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).