N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide

C20H27Cl2N3O4S — CID 57400212

IUPACN-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide
SMILESCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N3O4S/c1-4-5-10-30(27,28)24-19(26)9-8-17-12-20(29-14(2)3)23-25(17)13-15-6-7-16(21)11-18(15)22/h6-7,11-12,14H,4-5,8-10,13H2,1-3H3,(H,24,26)
InChIKeyOFPPFXIXVIAMEH-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.20
Rot. Bonds11

About N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide

N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide (PubChem CID 57400212) has the molecular formula C20H27Cl2N3O4S and a molecular weight of 476.43 g/mol. Its IUPAC name is N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide
PubChem CID57400212
Molecular FormulaC20H27Cl2N3O4S
Molecular Weight476.43 g/mol
Exact Mass475.11
IUPAC NameN-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide
SMILESCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H27Cl2N3O4S/c1-4-5-10-30(27,28)24-19(26)9-8-17-12-20(29-14(2)3)23-25(17)13-15-6-7-16(21)11-18(15)22/h6-7,11-12,14H,4-5,8-10,13H2,1-3H3,(H,24,26)
InChIKeyOFPPFXIXVIAMEH-UHFFFAOYSA-N
XLogP4.20
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide?
The IUPAC name of N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide (CID 57400212) is N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide.
What is the SMILES notation for N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide?
The canonical SMILES for N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide is CCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide?
The InChIKey is OFPPFXIXVIAMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27Cl2N3O4S/c1-4-5-10-30(27,28)24-19(26)9-8-17-12-20(29-14(2)3)23-25(17)13-15-6-7-16(21)11-18(15)22/h6-7,11-12,14H,4-5,8-10,13H2,1-3H3,(H,24,26).
What are the key properties of N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide?
N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide has a molecular weight of 476.43 g/mol, XLogP of 4.20, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanamide is sourced from PubChem (CID 57400212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).