N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide

C14H14ClFN2O2S — CID 2464066

IUPACN-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-7(2)18(6-11(17)19)14(20)13-12(15)9-4-3-8(16)5-10(9)21-13/h3-5,7H,6H2,1-2H3,(H2,17,19)
InChIKeyCJDCZCXQUKJCDA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.03
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 2464066) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID2464066
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C14H14ClFN2O2S/c1-7(2)18(6-11(17)19)14(20)13-12(15)9-4-3-8(16)5-10(9)21-13/h3-5,7H,6H2,1-2H3,(H2,17,19)
InChIKeyCJDCZCXQUKJCDA-UHFFFAOYSA-N
XLogP3.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-cyclopropyl-6-methyl-1-benzothiophene-2-carboxamide
CID 903260
Dipeptidyl nitrile inhibitor, 22
CID 44224132
3-chloro-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 673330
3-chloro-N-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 2329285
3,6-Dichloro-N-cyclopropylbenzo[b]thiophene-2-carboxamide
CID 9079896
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 18163749
(3-Chloro-4-fluoro-1-benzothiophen-2-yl)(2,6-dimethylmorpholin-4-yl)methanone
CID 2971473
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-2-carboxamide
CID 24758175
(S)-(3-chlorobenzo[b]thiophen-2-yl)(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)methanone
CID 44411921
CU CPT 4a
CID 53242268
3-chloro-N-[2-(morpholin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 678100
3-chloro-N-ethyl-6-methyl-1-benzothiophene-2-carboxamide
CID 874448

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 2464066) is N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide is CC(C)N(CC(N)=O)C(=O)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is CJDCZCXQUKJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-7(2)18(6-11(17)19)14(20)13-12(15)9-4-3-8(16)5-10(9)21-13/h3-5,7H,6H2,1-2H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-chloro-6-fluoro-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2464066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).