4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide

C24H30Cl2N4O3S — CID 11642197

IUPAC4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide
SMILESCN(CCc1ccc(C2=NCCN2C)cc1)C(=O)CCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C24H30Cl2N4O3S/c1-28(16-13-18-9-11-19(12-10-18)24-27-14-17-29(24)2)22(31)8-5-15-30(3)34(32,33)21-7-4-6-20(25)23(21)26/h4,6-7,9-12H,5,8,13-17H2,1-3H3
InChIKeyKNZSTTQSBLEJNO-UHFFFAOYSA-N
MW525.50 g/mol
LogP3.79
Rot. Bonds10

About 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide

4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide (PubChem CID 11642197) has the molecular formula C24H30Cl2N4O3S and a molecular weight of 525.50 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide
PubChem CID11642197
Molecular FormulaC24H30Cl2N4O3S
Molecular Weight525.50 g/mol
Exact Mass524.14
IUPAC Name4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide
SMILESCN(CCc1ccc(C2=NCCN2C)cc1)C(=O)CCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C24H30Cl2N4O3S/c1-28(16-13-18-9-11-19(12-10-18)24-27-14-17-29(24)2)22(31)8-5-15-30(3)34(32,33)21-7-4-6-20(25)23(21)26/h4,6-7,9-12H,5,8,13-17H2,1-3H3
InChIKeyKNZSTTQSBLEJNO-UHFFFAOYSA-N
XLogP3.79
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide?
The IUPAC name of 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide (CID 11642197) is 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide is CN(CCc1ccc(C2=NCCN2C)cc1)C(=O)CCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide?
The InChIKey is KNZSTTQSBLEJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O3S/c1-28(16-13-18-9-11-19(12-10-18)24-27-14-17-29(24)2)22(31)8-5-15-30(3)34(32,33)21-7-4-6-20(25)23(21)26/h4,6-7,9-12H,5,8,13-17H2,1-3H3.
What are the key properties of 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide?
4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide has a molecular weight of 525.50 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 11642197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).