N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide

C23H29N5O3S — CID 53077608

IUPACN-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
SMILESCCc1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C23H29N5O3S/c1-2-18-8-10-19(11-9-18)24-23(29)7-6-16-28-22-13-12-20(17-21(22)25-26-28)32(30,31)27-14-4-3-5-15-27/h8-13,17H,2-7,14-16H2,1H3,(H,24,29)
InChIKeyQUIGQEUGFUPEAN-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.59
Rot. Bonds8

About N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide

N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide (PubChem CID 53077608) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
PubChem CID53077608
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC NameN-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
SMILESCCc1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1
InChIInChI=1S/C23H29N5O3S/c1-2-18-8-10-19(11-9-18)24-23(29)7-6-16-28-22-13-12-20(17-21(22)25-26-28)32(30,31)27-14-4-3-5-15-27/h8-13,17H,2-7,14-16H2,1H3,(H,24,29)
InChIKeyQUIGQEUGFUPEAN-UHFFFAOYSA-N
XLogP3.59
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064316
N-ethyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077659
N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53084977
N-(3-chloro-4-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077654
N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064379
N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077547
N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077600
N-[2-(dimethylamino)ethyl]-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077605
1-(azepan-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53077613
ethyl 3-[3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanoylamino]benzoate
CID 53064394
N-(3-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064370
N-(3-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064383

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The IUPAC name of N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide (CID 53077608) is N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide is CCc1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The InChIKey is QUIGQEUGFUPEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c1-2-18-8-10-19(11-9-18)24-23(29)7-6-16-28-22-13-12-20(17-21(22)25-26-28)32(30,31)27-14-4-3-5-15-27/h8-13,17H,2-7,14-16H2,1H3,(H,24,29).
What are the key properties of N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide has a molecular weight of 455.58 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide is sourced from PubChem (CID 53077608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).