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

C21H25N3O5S — CID 30258077

IUPACN-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-16-3-7-18(8-4-16)22-20(25)15-24(30(2,27)28)19-9-5-17(6-10-19)21(26)23-11-13-29-14-12-23/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyXVMTULOILMMXAJ-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.87
Rot. Bonds6

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

N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 30258077) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID30258077
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H25N3O5S/c1-16-3-7-18(8-4-16)22-20(25)15-24(30(2,27)28)19-9-5-17(6-10-19)21(26)23-11-13-29-14-12-23/h3-10H,11-15H2,1-2H3,(H,22,25)
InChIKeyXVMTULOILMMXAJ-UHFFFAOYSA-N
XLogP1.87
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
N-[1-(4-methylphenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900504
N-[(4-methylphenyl)-phenylmethyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43900604
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
N-(3-chloro-2-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30265158
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-[1-(4-methylphenoxy)propan-2-yl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901364
N-(2,5-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30262278
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
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide (CID 30258077) is N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is Cc1ccc(NC(=O)CN(c2ccc(C(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is XVMTULOILMMXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-16-3-7-18(8-4-16)22-20(25)15-24(30(2,27)28)19-9-5-17(6-10-19)21(26)23-11-13-29-14-12-23/h3-10H,11-15H2,1-2H3,(H,22,25).
What are the key properties of N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide?
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 431.51 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 30258077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).