N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C19H24N2O4S2 — CID 31916016

IUPACN-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1cccc(OCCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1
InChIInChI=1S/C19H24N2O4S2/c1-15-5-4-6-16(13-15)25-12-9-20-18(22)14-17-7-8-19(26-17)27(23,24)21-10-2-3-11-21/h4-8,13H,2-3,9-12,14H2,1H3,(H,20,22)
InChIKeyTYPAQJFBXVDQMA-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.58
Rot. Bonds8

About N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 31916016) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID31916016
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCc1cccc(OCCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1
InChIInChI=1S/C19H24N2O4S2/c1-15-5-4-6-16(13-15)25-12-9-20-18(22)14-17-7-8-19(26-17)27(23,24)21-10-2-3-11-21/h4-8,13H,2-3,9-12,14H2,1H3,(H,20,22)
InChIKeyTYPAQJFBXVDQMA-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide 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-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
N-[(3-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37430896
4-chloro-N-[2-(3-methylphenoxy)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17488166
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55595327
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55596173
methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate
CID 46420163
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55565121

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 31916016) is N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is Cc1cccc(OCCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is TYPAQJFBXVDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-15-5-4-6-16(13-15)25-12-9-20-18(22)14-17-7-8-19(26-17)27(23,24)21-10-2-3-11-21/h4-8,13H,2-3,9-12,14H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 408.55 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 31916016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).