N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide

C20H24ClN3O5S2 — CID 43021766

IUPACN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)s1
InChIInChI=1S/C20H24ClN3O5S2/c1-13-10-16(14(2)30-13)20(26)23(3)12-19(25)22-15-4-5-17(21)18(11-15)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,25)
InChIKeyMVGCSSUDWUGYDN-UHFFFAOYSA-N
MW486.02 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide

N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide (PubChem CID 43021766) has the molecular formula C20H24ClN3O5S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
PubChem CID43021766
Molecular FormulaC20H24ClN3O5S2
Molecular Weight486.02 g/mol
Exact Mass485.08
IUPAC NameN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)s1
InChIInChI=1S/C20H24ClN3O5S2/c1-13-10-16(14(2)30-13)20(26)23(3)12-19(25)22-15-4-5-17(21)18(11-15)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,25)
InChIKeyMVGCSSUDWUGYDN-UHFFFAOYSA-N
XLogP2.75
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3,5-difluoro-N-methylbenzamide
CID 26729952
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide
CID 31932817
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 16555054
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
CID 26308926
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide
CID 27772574
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
CID 42989986
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 16561622
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16545129
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 4217336
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide (CID 43021766) is N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide is Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)s1.
What is the InChIKey of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide?
The InChIKey is MVGCSSUDWUGYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S2/c1-13-10-16(14(2)30-13)20(26)23(3)12-19(25)22-15-4-5-17(21)18(11-15)31(27,28)24-6-8-29-9-7-24/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide?
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide has a molecular weight of 486.02 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 43021766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).