2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

C18H28N2O4S2 — CID 43077603

IUPAC2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCSC(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C18H28N2O4S2/c1-13(2)24-17-9-8-15(12-16(17)19-18(21)14(3)25-4)26(22,23)20-10-6-5-7-11-20/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,19,21)
InChIKeyJCQNAZADVFBUBL-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.34
Rot. Bonds7

About 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (PubChem CID 43077603) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
PubChem CID43077603
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC Name2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCSC(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C18H28N2O4S2/c1-13(2)24-17-9-8-15(12-16(17)19-18(21)14(3)25-4)26(22,23)20-10-6-5-7-11-20/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,19,21)
InChIKeyJCQNAZADVFBUBL-UHFFFAOYSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)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

N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 16552159
cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 94020015
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
5-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265454
5-bromo-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 26265446
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 43904512
2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24555330
[2-oxo-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethyl] (E)-but-2-enoate
CID 9080829
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-thiophen-2-ylbutanamide
CID 26265407
methyl 6-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)carbamoyl]pyridine-3-carboxylate
CID 30748288

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (CID 43077603) is 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is CSC(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C.
What is the InChIKey of 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The InChIKey is JCQNAZADVFBUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-13(2)24-17-9-8-15(12-16(17)19-18(21)14(3)25-4)26(22,23)20-10-6-5-7-11-20/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,19,21).
What are the key properties of 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide has a molecular weight of 400.57 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 43077603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).