N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide

C22H30N2O3S — CID 56603891

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2c(C)cccc2C)c(C)c1
InChIInChI=1S/C22H30N2O3S/c1-6-24(7-2)19-11-12-20(18(5)15-19)23-21(25)13-14-28(26,27)22-16(3)9-8-10-17(22)4/h8-12,15H,6-7,13-14H2,1-5H3,(H,23,25)
InChIKeySHTQDGNCSRZSRE-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.26
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide (PubChem CID 56603891) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide
PubChem CID56603891
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2c(C)cccc2C)c(C)c1
InChIInChI=1S/C22H30N2O3S/c1-6-24(7-2)19-11-12-20(18(5)15-19)23-21(25)13-14-28(26,27)22-16(3)9-8-10-17(22)4/h8-12,15H,6-7,13-14H2,1-5H3,(H,23,25)
InChIKeySHTQDGNCSRZSRE-UHFFFAOYSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-naphthalen-1-ylsulfonylpropanamide
CID 56603939
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyphenyl)sulfonylpropanamide;2,2,2-trifluoroacetic acid
CID 56603869
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 113001706
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995651

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide (CID 56603891) is N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide is CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2c(C)cccc2C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide?
The InChIKey is SHTQDGNCSRZSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-6-24(7-2)19-11-12-20(18(5)15-19)23-21(25)13-14-28(26,27)22-16(3)9-8-10-17(22)4/h8-12,15H,6-7,13-14H2,1-5H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide has a molecular weight of 402.56 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide is sourced from PubChem (CID 56603891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).