1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide

C21H27N3O4S2 — CID 53074865

IUPAC1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N(C)C)cs3)CC2)c1C
InChIInChI=1S/C21H27N3O4S2/c1-14-6-5-7-18(15(14)2)22-20(25)16-8-10-24(11-9-16)30(27,28)19-12-17(13-29-19)21(26)23(3)4/h5-7,12-13,16H,8-11H2,1-4H3,(H,22,25)
InChIKeyQCBBAHFHFUXGQU-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide

1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 53074865) has the molecular formula C21H27N3O4S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
PubChem CID53074865
Molecular FormulaC21H27N3O4S2
Molecular Weight449.60 g/mol
Exact Mass449.14
IUPAC Name1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N(C)C)cs3)CC2)c1C
InChIInChI=1S/C21H27N3O4S2/c1-14-6-5-7-18(15(14)2)22-20(25)16-8-10-24(11-9-16)30(27,28)19-12-17(13-29-19)21(26)23(3)4/h5-7,12-13,16H,8-11H2,1-4H3,(H,22,25)
InChIKeyQCBBAHFHFUXGQU-UHFFFAOYSA-N
XLogP3.11
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-[4-(piperidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53028338
N-(2,3-dimethylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935092
N-(2,3-dimethylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915055
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 126364089
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 15990871
N-(3-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074752
N-(2,3-dimethylphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288640
N-(6-methyl-2-pyridinyl)-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074753
1-[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53074839
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-(2-methylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935080
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042052

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide (CID 53074865) is 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N(C)C)cs3)CC2)c1C.
What is the InChIKey of 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is QCBBAHFHFUXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S2/c1-14-6-5-7-18(15(14)2)22-20(25)16-8-10-24(11-9-16)30(27,28)19-12-17(13-29-19)21(26)23(3)4/h5-7,12-13,16H,8-11H2,1-4H3,(H,22,25).
What are the key properties of 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide?
1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53074865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).