2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate

C14H18ClNO4S — CID 68781613

IUPAC2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate
SMILESCC(C)COC(=O)C1(NC(=O)c2ccc(Cl)s2)CCOC1
InChIInChI=1S/C14H18ClNO4S/c1-9(2)7-20-13(18)14(5-6-19-8-14)16-12(17)10-3-4-11(15)21-10/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChIKeyQRJQARMMBFUWPB-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.49
Rot. Bonds5

About 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate

2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate (PubChem CID 68781613) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate
PubChem CID68781613
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate
SMILESCC(C)COC(=O)C1(NC(=O)c2ccc(Cl)s2)CCOC1
InChIInChI=1S/C14H18ClNO4S/c1-9(2)7-20-13(18)14(5-6-19-8-14)16-12(17)10-3-4-11(15)21-10/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChIKeyQRJQARMMBFUWPB-UHFFFAOYSA-N
XLogP2.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621215
(3S)-3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 59621148
N-[4-(bromomethyl)oxan-4-yl]-5-chlorothiophene-2-carboxamide
CID 106300903
1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450610
(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-(3-methylspiro[2,5-dihydro-1H-3-benzazepine-4,1'-cyclopropane]-8-yl)oxolane-3-carboxamide
CID 59621204
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239137
(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-[(5S)-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxolane-3-carboxamide
CID 59621135
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-methoxyethoxy)propanoate
CID 67455828
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate?
The IUPAC name of 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate (CID 68781613) is 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate?
The canonical SMILES for 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate is CC(C)COC(=O)C1(NC(=O)c2ccc(Cl)s2)CCOC1.
What is the InChIKey of 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate?
The InChIKey is QRJQARMMBFUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-9(2)7-20-13(18)14(5-6-19-8-14)16-12(17)10-3-4-11(15)21-10/h3-4,9H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate?
2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate has a molecular weight of 331.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylate is sourced from PubChem (CID 68781613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).