N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C13H20N2O4S2 — CID 114751616

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCC1(CCO)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H20N2O4S2/c1-15(21(18,19)12-3-2-8-20-12)9-11(17)14-10-13(4-5-13)6-7-16/h2-3,8,16H,4-7,9-10H2,1H3,(H,14,17)
InChIKeyRLOPLRVHEKHZLE-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.65
Rot. Bonds8

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 114751616) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID114751616
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCC1(CCO)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H20N2O4S2/c1-15(21(18,19)12-3-2-8-20-12)9-11(17)14-10-13(4-5-13)6-7-16/h2-3,8,16H,4-7,9-10H2,1H3,(H,14,17)
InChIKeyRLOPLRVHEKHZLE-UHFFFAOYSA-N
XLogP0.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18165137
N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115643486
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128278
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 62522087
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 114751616) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCC1(CCO)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is RLOPLRVHEKHZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-15(21(18,19)12-3-2-8-20-12)9-11(17)14-10-13(4-5-13)6-7-16/h2-3,8,16H,4-7,9-10H2,1H3,(H,14,17).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 332.45 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 114751616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).