3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide

C11H16ClNO3S — CID 103401856

IUPAC3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C11H16ClNO3S/c1-6-5-17-9(8(6)12)10(14)13-7(2)11(15-3)16-4/h5,7,11H,1-4H3,(H,13,14)
InChIKeyAWEGKQMDWZXUCI-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.45
Rot. Bonds5

About 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide

3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide (PubChem CID 103401856) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
PubChem CID103401856
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1scc(C)c1Cl
InChIInChI=1S/C11H16ClNO3S/c1-6-5-17-9(8(6)12)10(14)13-7(2)11(15-3)16-4/h5,7,11H,1-4H3,(H,13,14)
InChIKeyAWEGKQMDWZXUCI-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 103400274
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
3-chloro-N-(1-cyanoethyl)-4-methylthiophene-2-carboxamide
CID 103401616
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
N-(1-bromo-3-methoxypropan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106184622
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107878
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103401824
3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide
CID 107157265
3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103406130
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103400169

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide (CID 103401856) is 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide is COC(OC)C(C)NC(=O)c1scc(C)c1Cl.
What is the InChIKey of 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is AWEGKQMDWZXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-6-5-17-9(8(6)12)10(14)13-7(2)11(15-3)16-4/h5,7,11H,1-4H3,(H,13,14).
What are the key properties of 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide?
3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 277.77 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).