4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide

C20H28N4O3S2 — CID 35865509

IUPAC4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C20H28N4O3S2/c1-4-15(5-2)19-22-23-20(28-19)21-18(25)16-10-9-14(3)17(13-16)29(26,27)24-11-7-6-8-12-24/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,21,23,25)
InChIKeyIRPMKFBDRFSCPK-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.18
Rot. Bonds7

About 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide

4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 35865509) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID35865509
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC Name4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C20H28N4O3S2/c1-4-15(5-2)19-22-23-20(28-19)21-18(25)16-10-9-14(3)17(13-16)29(26,27)24-11-7-6-8-12-24/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,21,23,25)
InChIKeyIRPMKFBDRFSCPK-UHFFFAOYSA-N
XLogP4.18
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1081046
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865489
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24529645
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 16549562
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 26210272
ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333562
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 24668061
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
N-[4-[(2R)-butan-2-yl]phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7935740
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
3-(azepan-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506376
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 35865509) is 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is CCC(CC)c1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1.
What is the InChIKey of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IRPMKFBDRFSCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-4-15(5-2)19-22-23-20(28-19)21-18(25)16-10-9-14(3)17(13-16)29(26,27)24-11-7-6-8-12-24/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,21,23,25).
What are the key properties of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 436.60 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 35865509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).