3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide

C22H38ClN3O3S — CID 42700254

IUPAC3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide
SMILESCCCCN(CCC(=O)NC(C)CCCN(CC)CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H38ClN3O3S/c1-5-8-17-26(30(28,29)21-13-11-20(23)12-14-21)18-15-22(27)24-19(4)10-9-16-25(6-2)7-3/h11-14,19H,5-10,15-18H2,1-4H3,(H,24,27)
InChIKeyQUXIWTAPEFJZOF-UHFFFAOYSA-N
MW460.08 g/mol
LogP4.15
Rot. Bonds15

About 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide

3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide (PubChem CID 42700254) has the molecular formula C22H38ClN3O3S and a molecular weight of 460.08 g/mol. Its IUPAC name is 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide.

Molecular Properties

Compound Name3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide
PubChem CID42700254
Molecular FormulaC22H38ClN3O3S
Molecular Weight460.08 g/mol
Exact Mass459.23
IUPAC Name3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide
SMILESCCCCN(CCC(=O)NC(C)CCCN(CC)CC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H38ClN3O3S/c1-5-8-17-26(30(28,29)21-13-11-20(23)12-14-21)18-15-22(27)24-19(4)10-9-16-25(6-2)7-3/h11-14,19H,5-10,15-18H2,1-4H3,(H,24,27)
InChIKeyQUXIWTAPEFJZOF-UHFFFAOYSA-N
XLogP4.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.08
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-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

Related Compounds

3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
3-[(4-chloro-3-nitrophenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 42699689
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126393561
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
3-[4-(diethylsulfamoyl)phenyl]-N-octan-2-ylpropanamide
CID 55436116
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 42699557
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
CID 126322107
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
CID 133178296
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide
CID 42699290

Frequently Asked Questions

What is the IUPAC name of 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The IUPAC name of 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide (CID 42700254) is 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide.
What is the SMILES notation for 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The canonical SMILES for 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide is CCCCN(CCC(=O)NC(C)CCCN(CC)CC)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
The InChIKey is QUXIWTAPEFJZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38ClN3O3S/c1-5-8-17-26(30(28,29)21-13-11-20(23)12-14-21)18-15-22(27)24-19(4)10-9-16-25(6-2)7-3/h11-14,19H,5-10,15-18H2,1-4H3,(H,24,27).
What are the key properties of 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide?
3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide has a molecular weight of 460.08 g/mol, XLogP of 4.15, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide is sourced from PubChem (CID 42700254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).