4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

C16H15N3O3S2 — CID 23585658

IUPAC4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)(=O)Cc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1
InChIInChI=1S/C16H15N3O3S2/c1-24(21,22)8-9-2-4-10(5-3-9)13-6-11-14(23-13)12(16(18)20)7-19-15(11)17/h2-7H,8H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyQVFFIRPZZOBDGZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.19
Rot. Bonds4

About 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 23585658) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID23585658
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)(=O)Cc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1
InChIInChI=1S/C16H15N3O3S2/c1-24(21,22)8-9-2-4-10(5-3-9)13-6-11-14(23-13)12(16(18)20)7-19-15(11)17/h2-7H,8H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyQVFFIRPZZOBDGZ-UHFFFAOYSA-N
XLogP2.19
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-2-[4-(Tert-Butylsulfamoyl)phenyl]-N-Methylthieno[3,2-C]pyridine-7-Carboxamide
CID 53497572
4-amino-2-(4-(tert-butylsulfamoyl)phenyl)-N-(2-(morpholin-4-yl)ethyl)thieno(3,2-c)pyridine-7-carboxamide
CID 56834889
Chk1-IN-2
CID 11951901
7-Amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218756
4-Aminothieno[3,2-C]pyridine-2,7-Dicarboxamide
CID 72206638
(S)-2-(4-carbamoylphenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925625
(S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 50925626
4-Amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 10107882
(S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 11842628
4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-3-ylthieno[3,2-c]pyridine-7-carboxamide
CID 11951722
4-[[(3S)-piperidin-3-yl]amino]-2-thiophen-2-ylthieno[3,2-c]pyridine-7-carboxamide
CID 11951724
4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 11951728

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 23585658) is 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide is CS(=O)(=O)Cc1ccc(-c2cc3c(N)ncc(C(N)=O)c3s2)cc1.
What is the InChIKey of 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is QVFFIRPZZOBDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-24(21,22)8-9-2-4-10(5-3-9)13-6-11-14(23-13)12(16(18)20)7-19-15(11)17/h2-7H,8H2,1H3,(H2,17,19)(H2,18,20).
What are the key properties of 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 23585658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).