5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

C17H20ClN5O5S3 — CID 91037788

IUPAC5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)c2ccc(-c3nnc(Cl)s3)s2)C1=O
InChIInChI=1S/C17H20ClN5O5S3/c1-10(15(24)22-6-8-28-9-7-22)23-5-4-11(16(23)25)21-31(26,27)13-3-2-12(29-13)14-19-20-17(18)30-14/h2-3,10-11,21H,4-9H2,1H3/t10-,11?/m0/s1
InChIKeyJRSNMAKJGFZLQH-VUWPPUDQSA-N
MW506.03 g/mol
LogP1.05
Rot. Bonds6

About 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 91037788) has the molecular formula C17H20ClN5O5S3 and a molecular weight of 506.03 g/mol. Its IUPAC name is 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID91037788
Molecular FormulaC17H20ClN5O5S3
Molecular Weight506.03 g/mol
Exact Mass505.03
IUPAC Name5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)c2ccc(-c3nnc(Cl)s3)s2)C1=O
InChIInChI=1S/C17H20ClN5O5S3/c1-10(15(24)22-6-8-28-9-7-22)23-5-4-11(16(23)25)21-31(26,27)13-3-2-12(29-13)14-19-20-17(18)30-14/h2-3,10-11,21H,4-9H2,1H3/t10-,11?/m0/s1
InChIKeyJRSNMAKJGFZLQH-VUWPPUDQSA-N
XLogP1.05
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.03
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 91037788) is 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is C[C@@H](C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)c2ccc(-c3nnc(Cl)s3)s2)C1=O.
What is the InChIKey of 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is JRSNMAKJGFZLQH-VUWPPUDQSA-N. The full InChI is InChI=1S/C17H20ClN5O5S3/c1-10(15(24)22-6-8-28-9-7-22)23-5-4-11(16(23)25)21-31(26,27)13-3-2-12(29-13)14-19-20-17(18)30-14/h2-3,10-11,21H,4-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 506.03 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 91037788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).