2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide

C18H21ClN2O3S — CID 155535764

IUPAC2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cn1
InChIInChI=1S/C18H21ClN2O3S/c1-18(2,25(23,24)16-11-10-15(19)13-21-16)17(22)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,20,22)
InChIKeyDFSRTNFKKNTUEQ-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.04
Rot. Bonds7

About 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide

2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide (PubChem CID 155535764) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide
PubChem CID155535764
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cn1
InChIInChI=1S/C18H21ClN2O3S/c1-18(2,25(23,24)16-11-10-15(19)13-21-16)17(22)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,20,22)
InChIKeyDFSRTNFKKNTUEQ-UHFFFAOYSA-N
XLogP3.04
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)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

CID 2800647
CID 2800647
CID 57388872
CID 57388872
CID 2342408
CID 2342408
CID 5060029
CID 5060029
CID 10072535
CID 10072535
CID 155518541
CID 155518541
CID 4834371
CID 4834371
CID 10075114
CID 10075114
CID 10255332
CID 10255332
CID 20851621
CID 20851621
CID 45104440
CID 45104440
CID 155536395
CID 155536395

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide (CID 155535764) is 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide is CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide?
The InChIKey is DFSRTNFKKNTUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-18(2,25(23,24)16-11-10-15(19)13-21-16)17(22)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,20,22).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide?
2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfonyl]-2-methyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 155535764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).