N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

C21H24ClN3O5S — CID 30265158

IUPACN-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H24ClN3O5S/c1-15-18(22)4-3-5-19(15)23-20(26)14-25(31(2,28)29)17-8-6-16(7-9-17)21(27)24-10-12-30-13-11-24/h3-9H,10-14H2,1-2H3,(H,23,26)
InChIKeyBYLPXGNZLQUOEO-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.53
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide

N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 30265158) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID30265158
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H24ClN3O5S/c1-15-18(22)4-3-5-19(15)23-20(26)14-25(31(2,28)29)17-8-6-16(7-9-17)21(27)24-10-12-30-13-11-24/h3-9H,10-14H2,1-2H3,(H,23,26)
InChIKeyBYLPXGNZLQUOEO-UHFFFAOYSA-N
XLogP2.53
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30271008
methyl 2-methyl-3-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate
CID 30269435
N-(2,5-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30262278
N-(2-bromophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30261361
N-(4-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265040
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901121
N-(5-chloro-2-methoxyphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30264918
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126319506
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (CID 30265158) is N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is Cc1c(Cl)cccc1NC(=O)CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is BYLPXGNZLQUOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-15-18(22)4-3-5-19(15)23-20(26)14-25(31(2,28)29)17-8-6-16(7-9-17)21(27)24-10-12-30-13-11-24/h3-9H,10-14H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 465.96 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 30265158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).