N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide

C23H30N2O3S2 — CID 53101399

IUPACN-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESCN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1)C1CCCCC1
InChIInChI=1S/C23H30N2O3S2/c1-24(20-8-4-2-5-9-20)23(26)19-12-10-18(11-13-19)21-14-15-22(29-21)30(27,28)25-16-6-3-7-17-25/h10-15,20H,2-9,16-17H2,1H3
InChIKeyDCLYBXQWXTVOJA-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.99
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide

N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101399) has the molecular formula C23H30N2O3S2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101399
Molecular FormulaC23H30N2O3S2
Molecular Weight446.64 g/mol
Exact Mass446.17
IUPAC NameN-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESCN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1)C1CCCCC1
InChIInChI=1S/C23H30N2O3S2/c1-24(20-8-4-2-5-9-20)23(26)19-12-10-18(11-13-19)21-14-15-22(29-21)30(27,28)25-16-6-3-7-17-25/h10-15,20H,2-9,16-17H2,1H3
InChIKeyDCLYBXQWXTVOJA-UHFFFAOYSA-N
XLogP4.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101331
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-[3-(N-methylanilino)propyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101357
N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101340
N-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101368
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082114
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-cyclohexyl-N-cyclopropyl-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47024589
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide (CID 53101399) is N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide is CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is DCLYBXQWXTVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S2/c1-24(20-8-4-2-5-9-20)23(26)19-12-10-18(11-13-19)21-14-15-22(29-21)30(27,28)25-16-6-3-7-17-25/h10-15,20H,2-9,16-17H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide?
N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 446.64 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).