[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid

C7H6ClNO3S — CID 89478549

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H6ClNO3S/c8-6-2-1-5(13-6)4(10)3-9-7(11)12/h1-2,9H,3H2,(H,11,12)
InChIKeyIMIKRZYKGAFFAT-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.85
Rot. Bonds3

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid

[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid (PubChem CID 89478549) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid
PubChem CID89478549
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H6ClNO3S/c8-6-2-1-5(13-6)4(10)3-9-7(11)12/h1-2,9H,3H2,(H,11,12)
InChIKeyIMIKRZYKGAFFAT-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid
CID 82475711
2-anilino-1-(5-chlorothiophen-2-yl)ethanone
CID 82119570
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 94257066
1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
CID 94261007
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63320072
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43387544
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate
CID 4962746
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid (CID 89478549) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid is O=C(O)NCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid?
The InChIKey is IMIKRZYKGAFFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-6-2-1-5(13-6)4(10)3-9-7(11)12/h1-2,9H,3H2,(H,11,12).
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid has a molecular weight of 219.65 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 89478549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).