N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide

C22H23ClN4O5S — CID 26308926

IUPACN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H23ClN4O5S/c1-26(22(29)19-12-15-4-2-3-5-18(15)25-19)14-21(28)24-16-6-7-17(23)20(13-16)33(30,31)27-8-10-32-11-9-27/h2-7,12-13,25H,8-11,14H2,1H3,(H,24,28)
InChIKeyQQQPKIQFUFMRAC-UHFFFAOYSA-N
MW490.97 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide

N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 26308926) has the molecular formula C22H23ClN4O5S and a molecular weight of 490.97 g/mol. Its IUPAC name is N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID26308926
Molecular FormulaC22H23ClN4O5S
Molecular Weight490.97 g/mol
Exact Mass490.11
IUPAC NameN-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H23ClN4O5S/c1-26(22(29)19-12-15-4-2-3-5-18(15)25-19)14-21(28)24-16-6-7-17(23)20(13-16)33(30,31)27-8-10-32-11-9-27/h2-7,12-13,25H,8-11,14H2,1H3,(H,24,28)
InChIKeyQQQPKIQFUFMRAC-UHFFFAOYSA-N
XLogP2.55
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 43021766
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-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
CID 42989986
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-[(1S)-cyclopent-2-en-1-yl]-N-methylacetamide
CID 27772574
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
2-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 16561622
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 4070556
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide (CID 26308926) is N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is QQQPKIQFUFMRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O5S/c1-26(22(29)19-12-15-4-2-3-5-18(15)25-19)14-21(28)24-16-6-7-17(23)20(13-16)33(30,31)27-8-10-32-11-9-27/h2-7,12-13,25H,8-11,14H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide?
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 490.97 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 26308926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).