ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate

C16H18N2O5S3 — CID 7614852

IUPACethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N2O5S3/c1-2-23-16(20)11-7-10-25-15(11)17-14(19)12-5-3-8-18(12)26(21,22)13-6-4-9-24-13/h4,6-7,9-10,12H,2-3,5,8H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyHVONDROZKRXSRD-GFCCVEGCSA-N
MW414.53 g/mol
LogP2.78
Rot. Bonds6

About ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate

ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 7614852) has the molecular formula C16H18N2O5S3 and a molecular weight of 414.53 g/mol. Its IUPAC name is ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate
PubChem CID7614852
Molecular FormulaC16H18N2O5S3
Molecular Weight414.53 g/mol
Exact Mass414.04
IUPAC Nameethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N2O5S3/c1-2-23-16(20)11-7-10-25-15(11)17-14(19)12-5-3-8-18(12)26(21,22)13-6-4-9-24-13/h4,6-7,9-10,12H,2-3,5,8H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyHVONDROZKRXSRD-GFCCVEGCSA-N
XLogP2.78
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 41100010
(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614856
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
methyl 2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 16830745
N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555653
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate (CID 7614852) is ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is HVONDROZKRXSRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O5S3/c1-2-23-16(20)11-7-10-25-15(11)17-14(19)12-5-3-8-18(12)26(21,22)13-6-4-9-24-13/h4,6-7,9-10,12H,2-3,5,8H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate?
ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 414.53 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7614852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).