N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

C16H17BrN2O3S2 — CID 171989504

IUPACN-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H17BrN2O3S2/c17-12-5-4-6-13(9-12)18-16(20)15-10-14(11-23-15)24(21,22)19-7-2-1-3-8-19/h4-6,9-11H,1-3,7-8H2,(H,18,20)
InChIKeyDCOYSRUTYNWRRZ-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.94
Rot. Bonds4

About N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 171989504) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID171989504
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC NameN-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H17BrN2O3S2/c17-12-5-4-6-13(9-12)18-16(20)15-10-14(11-23-15)24(21,22)19-7-2-1-3-8-19/h4-6,9-11H,1-3,7-8H2,(H,18,20)
InChIKeyDCOYSRUTYNWRRZ-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503342
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
(3-benzamidophenyl) 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 1322539
4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)thiophene-2-carboxamide
CID 6503829
4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503287
5-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-2-carboxamide
CID 36843795
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503315

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 171989504) is N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is DCOYSRUTYNWRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c17-12-5-4-6-13(9-12)18-16(20)15-10-14(11-23-15)24(21,22)19-7-2-1-3-8-19/h4-6,9-11H,1-3,7-8H2,(H,18,20).
What are the key properties of N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 429.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 171989504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).