N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide

C24H25N3O4S — CID 22303929

IUPACN-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(NCc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)c(S(C)(=O)=O)c1C
InChIInChI=1S/C24H25N3O4S/c1-15-4-13-21(22(16(15)2)32(3,30)31)26-14-17-5-7-19(8-6-17)24(29)27-20-11-9-18(10-12-20)23(25)28/h4-13,26H,14H2,1-3H3,(H2,25,28)(H,27,29)
InChIKeyCCURPFZDVPJFPX-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.67
Rot. Bonds7

About N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide

N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide (PubChem CID 22303929) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide
PubChem CID22303929
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide
SMILESCc1ccc(NCc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)c(S(C)(=O)=O)c1C
InChIInChI=1S/C24H25N3O4S/c1-15-4-13-21(22(16(15)2)32(3,30)31)26-14-17-5-7-19(8-6-17)24(29)27-20-11-9-18(10-12-20)23(25)28/h4-13,26H,14H2,1-3H3,(H2,25,28)(H,27,29)
InChIKeyCCURPFZDVPJFPX-UHFFFAOYSA-N
XLogP3.67
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]-N-methylbenzamide
CID 22304271
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100600620
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
4-[(4-chloro-2-methylanilino)methyl]benzamide
CID 43234717
N-(4-aminophenyl)-4-[(2-methylsulfonylethylamino)methyl]benzamide
CID 90104457
4-[(3-methylsulfonylanilino)methyl]benzamide
CID 60713201
N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide
CID 21090562
4-[(4-hydroxy-2,5-dimethylanilino)methyl]benzamide
CID 106953737
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
CID 145489122

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide (CID 22303929) is N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide is Cc1ccc(NCc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)c(S(C)(=O)=O)c1C.
What is the InChIKey of N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide?
The InChIKey is CCURPFZDVPJFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-15-4-13-21(22(16(15)2)32(3,30)31)26-14-17-5-7-19(8-6-17)24(29)27-20-11-9-18(10-12-20)23(25)28/h4-13,26H,14H2,1-3H3,(H2,25,28)(H,27,29).
What are the key properties of N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide?
N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 22303929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).