N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide

C25H27N5O3S — CID 53084977

IUPACN-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
SMILESO=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H27N5O3S/c31-25(26-21-11-10-19-7-2-3-8-20(19)17-21)9-6-16-30-24-13-12-22(18-23(24)27-28-30)34(32,33)29-14-4-1-5-15-29/h2-3,7-8,10-13,17-18H,1,4-6,9,14-16H2,(H,26,31)
InChIKeyYEQWPZMJIZANKB-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.18
Rot. Bonds7

About N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide

N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide (PubChem CID 53084977) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
PubChem CID53084977
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC NameN-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
SMILESO=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H27N5O3S/c31-25(26-21-11-10-19-7-2-3-8-20(19)17-21)9-6-16-30-24-13-12-22(18-23(24)27-28-30)34(32,33)29-14-4-1-5-15-29/h2-3,7-8,10-13,17-18H,1,4-6,9,14-16H2,(H,26,31)
InChIKeyYEQWPZMJIZANKB-UHFFFAOYSA-N
XLogP4.18
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077608
N-(3-chloro-4-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077654
N-ethyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077659
N-(3-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064383
N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077600
N-(3-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064370
N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064379
N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064382
N-(4-ethylphenyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064316
1-(azepan-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53077613
N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077547
N-[2-(dimethylamino)ethyl]-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077605

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The IUPAC name of N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide (CID 53084977) is N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide.
What is the SMILES notation for N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The canonical SMILES for N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide is O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The InChIKey is YEQWPZMJIZANKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c31-25(26-21-11-10-19-7-2-3-8-20(19)17-21)9-6-16-30-24-13-12-22(18-23(24)27-28-30)34(32,33)29-14-4-1-5-15-29/h2-3,7-8,10-13,17-18H,1,4-6,9,14-16H2,(H,26,31).
What are the key properties of N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide has a molecular weight of 477.59 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 N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide is sourced from PubChem (CID 53084977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).