2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide

C20H21N3O4S2 — CID 55707253

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccnc(OCc2ccccc2)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H21N3O4S2/c1-23(29(25,26)20-8-5-11-28-20)14-18(24)22-13-17-9-10-21-19(12-17)27-15-16-6-3-2-4-7-16/h2-12H,13-15H2,1H3,(H,22,24)
InChIKeyLBSLJJRMQXTWOZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.66
Rot. Bonds9

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide (PubChem CID 55707253) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
PubChem CID55707253
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccnc(OCc2ccccc2)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H21N3O4S2/c1-23(29(25,26)20-8-5-11-28-20)14-18(24)22-13-17-9-10-21-19(12-17)27-15-16-6-3-2-4-7-16/h2-12H,13-15H2,1H3,(H,22,24)
InChIKeyLBSLJJRMQXTWOZ-UHFFFAOYSA-N
XLogP2.66
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55716009
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
CID 30839132
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55962347
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56585871

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide (CID 55707253) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide is CN(CC(=O)NCc1ccnc(OCc2ccccc2)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is LBSLJJRMQXTWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-23(29(25,26)20-8-5-11-28-20)14-18(24)22-13-17-9-10-21-19(12-17)27-15-16-6-3-2-4-7-16/h2-12H,13-15H2,1H3,(H,22,24).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55707253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).