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

C12H18N2O4S2 — CID 115643486

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCC1(O)CCC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H18N2O4S2/c1-14(20(17,18)11-4-2-7-19-11)8-10(15)13-9-12(16)5-3-6-12/h2,4,7,16H,3,5-6,8-9H2,1H3,(H,13,15)
InChIKeyBFYAJCMVUUMUOG-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.40
Rot. Bonds6

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

N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 115643486) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID115643486
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCC1(O)CCC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H18N2O4S2/c1-14(20(17,18)11-4-2-7-19-11)8-10(15)13-9-12(16)5-3-6-12/h2,4,7,16H,3,5-6,8-9H2,1H3,(H,13,15)
InChIKeyBFYAJCMVUUMUOG-UHFFFAOYSA-N
XLogP0.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.40
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
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128278
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 114751616
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1-phenylcyclobutyl)acetamide
CID 51273162
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 115643486) is N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCC1(O)CCC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is BFYAJCMVUUMUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-14(20(17,18)11-4-2-7-19-11)8-10(15)13-9-12(16)5-3-6-12/h2,4,7,16H,3,5-6,8-9H2,1H3,(H,13,15).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 318.42 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 115643486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).