5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide

C21H27ClN4O4S2 — CID 24979581

IUPAC5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C21H27ClN4O4S2/c1-2-24-7-9-25(10-8-24)18-4-3-16(32(28,29)26-11-13-30-14-12-26)15-17(18)23-21(27)19-5-6-20(22)31-19/h3-6,15H,2,7-14H2,1H3,(H,23,27)
InChIKeyDVJBENRNTDOGIO-UHFFFAOYSA-N
MW499.06 g/mol
LogP2.82
Rot. Bonds6

About 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide

5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide (PubChem CID 24979581) has the molecular formula C21H27ClN4O4S2 and a molecular weight of 499.06 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide
PubChem CID24979581
Molecular FormulaC21H27ClN4O4S2
Molecular Weight499.06 g/mol
Exact Mass498.12
IUPAC Name5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C21H27ClN4O4S2/c1-2-24-7-9-25(10-8-24)18-4-3-16(32(28,29)26-11-13-30-14-12-26)15-17(18)23-21(27)19-5-6-20(22)31-19/h3-6,15H,2,7-14H2,1H3,(H,23,27)
InChIKeyDVJBENRNTDOGIO-UHFFFAOYSA-N
XLogP2.82
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.06
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(2S)-2-[[2-ethyl-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-morpholin-4-yl-3-oxopropyl]thiophene-2-carboxamide
CID 72792610
5-chloro-N-[(2S)-2-[[2-ethyl-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-[(3S)-3-methylmorpholin-4-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 72792608
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4009096
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4093593
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
N-(2-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1312252
5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-ethyl-3-(3-oxo-morpholin-4-yl)-benzenesulfonylamino]-3-((S)-3-methyl-morpholin-4-yl)-3-oxo-propyl]-amide
CID 44200855
5-chloro-N-[(2S)-2-[[2-ethyl-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]thiophene-2-carboxamide
CID 44201094
5-chloro-N-[(2S)-2-[[2-ethyl-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 72792673
N-(4-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1117949
N-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205
5-chloro-N-(4-(morpholinosulfonyl)phenyl)thiophene-2-carboxamide
CID 2147582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide (CID 24979581) is 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide is CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide?
The InChIKey is DVJBENRNTDOGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O4S2/c1-2-24-7-9-25(10-8-24)18-4-3-16(32(28,29)26-11-13-30-14-12-26)15-17(18)23-21(27)19-5-6-20(22)31-19/h3-6,15H,2,7-14H2,1H3,(H,23,27).
What are the key properties of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide?
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide has a molecular weight of 499.06 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24979581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).