2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide

C21H30ClN3O5S2 — CID 90946496

IUPAC2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide
SMILESCC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC=C(NS(=O)(=O)CC(C)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C21H30ClN3O5S2/c1-4-14(2)19(21(27)24-9-11-30-12-10-24)25-8-7-16(20(25)26)23-32(28,29)13-15(3)17-5-6-18(22)31-17/h5-7,14-15,19,23H,4,8-13H2,1-3H3/t14-,15?,19-/m0/s1
InChIKeyFYQCOEOYEXGGCB-OCGXIWQUSA-N
MW504.07 g/mol
LogP2.42
Rot. Bonds9

About 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide

2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide (PubChem CID 90946496) has the molecular formula C21H30ClN3O5S2 and a molecular weight of 504.07 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide
PubChem CID90946496
Molecular FormulaC21H30ClN3O5S2
Molecular Weight504.07 g/mol
Exact Mass503.13
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide
SMILESCC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC=C(NS(=O)(=O)CC(C)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C21H30ClN3O5S2/c1-4-14(2)19(21(27)24-9-11-30-12-10-24)25-8-7-16(20(25)26)23-32(28,29)13-15(3)17-5-6-18(22)31-17/h5-7,14-15,19,23H,4,8-13H2,1-3H3/t14-,15?,19-/m0/s1
InChIKeyFYQCOEOYEXGGCB-OCGXIWQUSA-N
XLogP2.42
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.07
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide (CID 90946496) is 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide is CC[C@H](C)[C@@H](C(=O)N1CCOCC1)N1CC=C(NS(=O)(=O)CC(C)c2ccc(Cl)s2)C1=O.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide?
The InChIKey is FYQCOEOYEXGGCB-OCGXIWQUSA-N. The full InChI is InChI=1S/C21H30ClN3O5S2/c1-4-14(2)19(21(27)24-9-11-30-12-10-24)25-8-7-16(20(25)26)23-32(28,29)13-15(3)17-5-6-18(22)31-17/h5-7,14-15,19,23H,4,8-13H2,1-3H3/t14-,15?,19-/m0/s1.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide?
2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide has a molecular weight of 504.07 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 90946496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).