N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide

C20H26N2O4S2 — CID 24980486

IUPACN-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
SMILESCCCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C20H26N2O4S2/c1-2-3-11-22(17-7-5-4-6-8-17)19(23)16-18-9-10-20(27-18)28(24,25)21-12-14-26-15-13-21/h4-10H,2-3,11-16H2,1H3
InChIKeyUGCGXNNRGXOERX-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.14
Rot. Bonds8

About N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide

N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide (PubChem CID 24980486) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
PubChem CID24980486
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
SMILESCCCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C20H26N2O4S2/c1-2-3-11-22(17-7-5-4-6-8-17)19(23)16-18-9-10-20(27-18)28(24,25)21-12-14-26-15-13-21/h4-10H,2-3,11-16H2,1H3
InChIKeyUGCGXNNRGXOERX-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide?
The IUPAC name of N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide (CID 24980486) is N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide.
What is the SMILES notation for N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide?
The canonical SMILES for N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide is CCCCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1.
What is the InChIKey of N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide?
The InChIKey is UGCGXNNRGXOERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-2-3-11-22(17-7-5-4-6-8-17)19(23)16-18-9-10-20(27-18)28(24,25)21-12-14-26-15-13-21/h4-10H,2-3,11-16H2,1H3.
What are the key properties of N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide?
N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide has a molecular weight of 422.57 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide is sourced from PubChem (CID 24980486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).