N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide

C21H29N3O3S — CID 33080098

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c(C)c1
InChIInChI=1S/C21H29N3O3S/c1-15-7-8-17(16(2)13-15)9-12-21(25)22-19-14-18(28(26,27)24(5)6)10-11-20(19)23(3)4/h7-8,10-11,13-14H,9,12H2,1-6H3,(H,22,25)
InChIKeyAVSLLEMBAJHKTH-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide (PubChem CID 33080098) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
PubChem CID33080098
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c(C)c1
InChIInChI=1S/C21H29N3O3S/c1-15-7-8-17(16(2)13-15)9-12-21(25)22-19-14-18(28(26,27)24(5)6)10-11-20(19)23(3)4/h7-8,10-11,13-14H,9,12H2,1-6H3,(H,22,25)
InChIKeyAVSLLEMBAJHKTH-UHFFFAOYSA-N
XLogP3.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
ethyl 2-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanylacetate
CID 9286924
methyl 3-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]sulfanylpropanoate
CID 9344465
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
2-(4-bromophenyl)sulfanyl-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]acetamide
CID 25343529
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 119949036
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119689777
N-[2-(2,4-dimethylphenoxy)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100558295
ethyl 4-[2-[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
CID 39975363
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide (CID 33080098) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c(C)c1.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The InChIKey is AVSLLEMBAJHKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-15-7-8-17(16(2)13-15)9-12-21(25)22-19-14-18(28(26,27)24(5)6)10-11-20(19)23(3)4/h7-8,10-11,13-14H,9,12H2,1-6H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide has a molecular weight of 403.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 33080098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).