3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide

C15H18N2O4S2 — CID 2815287

IUPAC3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2scc(S(=O)(=O)C(C)C)c2N)cc1
InChIInChI=1S/C15H18N2O4S2/c1-9(2)23(19,20)12-8-22-14(13(12)16)15(18)17-10-4-6-11(21-3)7-5-10/h4-9H,16H2,1-3H3,(H,17,18)
InChIKeyYXNURDHFKYKAOB-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.77
Rot. Bonds5

About 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide

3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 2815287) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID2815287
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2scc(S(=O)(=O)C(C)C)c2N)cc1
InChIInChI=1S/C15H18N2O4S2/c1-9(2)23(19,20)12-8-22-14(13(12)16)15(18)17-10-4-6-11(21-3)7-5-10/h4-9H,16H2,1-3H3,(H,17,18)
InChIKeyYXNURDHFKYKAOB-UHFFFAOYSA-N
XLogP2.77
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide (CID 2815287) is 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide is COc1ccc(NC(=O)c2scc(S(=O)(=O)C(C)C)c2N)cc1.
What is the InChIKey of 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is YXNURDHFKYKAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-9(2)23(19,20)12-8-22-14(13(12)16)15(18)17-10-4-6-11(21-3)7-5-10/h4-9H,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide?
3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxyphenyl)-4-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2815287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).