5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide

C25H31ClN4O6S2 — CID 72792609

IUPAC5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C
InChIInChI=1S/C25H31ClN4O6S2/c1-3-17-19(30-11-5-8-23(30)31)6-4-7-21(17)38(34,35)28-18(25(33)29-12-13-36-15-16(29)2)14-27-24(32)20-9-10-22(26)37-20/h4,6-7,9-10,16,18,28H,3,5,8,11-15H2,1-2H3,(H,27,32)/t16-,18-/m0/s1
InChIKeyYJNVYIQRUCUHIU-WMZOPIPTSA-N
MW583.13 g/mol
LogP2.41
Rot. Bonds9

About 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide

5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 72792609) has the molecular formula C25H31ClN4O6S2 and a molecular weight of 583.13 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID72792609
Molecular FormulaC25H31ClN4O6S2
Molecular Weight583.13 g/mol
Exact Mass582.14
IUPAC Name5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
SMILESCCc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C
InChIInChI=1S/C25H31ClN4O6S2/c1-3-17-19(30-11-5-8-23(30)31)6-4-7-21(17)38(34,35)28-18(25(33)29-12-13-36-15-16(29)2)14-27-24(32)20-9-10-22(26)37-20/h4,6-7,9-10,16,18,28H,3,5,8,11-15H2,1-2H3,(H,27,32)/t16-,18-/m0/s1
InChIKeyYJNVYIQRUCUHIU-WMZOPIPTSA-N
XLogP2.41
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.13
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide 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 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide (CID 72792609) is 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide is CCc1c(N2CCCC2=O)cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)N1CCOC[C@@H]1C.
What is the InChIKey of 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is YJNVYIQRUCUHIU-WMZOPIPTSA-N. The full InChI is InChI=1S/C25H31ClN4O6S2/c1-3-17-19(30-11-5-8-23(30)31)6-4-7-21(17)38(34,35)28-18(25(33)29-12-13-36-15-16(29)2)14-27-24(32)20-9-10-22(26)37-20/h4,6-7,9-10,16,18,28H,3,5,8,11-15H2,1-2H3,(H,27,32)/t16-,18-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide?
5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 583.13 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 72792609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).