N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide

C10H14ClNO4S2 — CID 78875952

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c1-16-4-5-18(14,15)7-10(13)12-6-8-2-3-9(11)17-8/h2-3H,4-7H2,1H3,(H,12,13)
InChIKeyWURJADQBUZAMQN-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.08
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide (PubChem CID 78875952) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide
PubChem CID78875952
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c1-16-4-5-18(14,15)7-10(13)12-6-8-2-3-9(11)17-8/h2-3H,4-7H2,1H3,(H,12,13)
InChIKeyWURJADQBUZAMQN-UHFFFAOYSA-N
XLogP1.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-(2-methoxyethylsulfonyl)acetyl]amino]methyl]benzoic acid
CID 119353555
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-3-methoxypropanoic acid
CID 81082349
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
N-[(5-chlorothiophen-2-yl)methyl]-2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylamino]acetamide
CID 124849999
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110767682
2-hydroxyethyl N-[(5-chlorothiophen-2-yl)methyl]carbamate
CID 79348989
N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207530
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018489

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide (CID 78875952) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide is COCCS(=O)(=O)CC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide?
The InChIKey is WURJADQBUZAMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c1-16-4-5-18(14,15)7-10(13)12-6-8-2-3-9(11)17-8/h2-3H,4-7H2,1H3,(H,12,13).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methoxyethylsulfonyl)acetamide is sourced from PubChem (CID 78875952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).