N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide

C17H25N5O3S — CID 53077547

IUPACN-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
SMILESCCCNC(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H25N5O3S/c1-2-9-18-17(23)6-5-12-22-16-8-7-14(13-15(16)19-20-22)26(24,25)21-10-3-4-11-21/h7-8,13H,2-6,9-12H2,1H3,(H,18,23)
InChIKeyGJUAUEXALNVWLO-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.52
Rot. Bonds8

About N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide

N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide (PubChem CID 53077547) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide.

Molecular Properties

Compound NameN-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
PubChem CID53077547
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
SMILESCCCNC(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C17H25N5O3S/c1-2-9-18-17(23)6-5-12-22-16-8-7-14(13-15(16)19-20-22)26(24,25)21-10-3-4-11-21/h7-8,13H,2-6,9-12H2,1H3,(H,18,23)
InChIKeyGJUAUEXALNVWLO-UHFFFAOYSA-N
XLogP1.52
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077659
N-[2-(dimethylamino)ethyl]-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077605
N-(3-pyrrolidin-1-ylpropyl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064377
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077652
N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077600
N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077608
N-[[(2R)-oxolan-2-yl]methyl]-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 97043853
1-(azepan-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53077613
4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 53077736
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
1-(4-methylpiperidin-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53028639

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The IUPAC name of N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide (CID 53077547) is N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide.
What is the SMILES notation for N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The canonical SMILES for N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide is CCCNC(=O)CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The InChIKey is GJUAUEXALNVWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-2-9-18-17(23)6-5-12-22-16-8-7-14(13-15(16)19-20-22)26(24,25)21-10-3-4-11-21/h7-8,13H,2-6,9-12H2,1H3,(H,18,23).
What are the key properties of N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide has a molecular weight of 379.49 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide is sourced from PubChem (CID 53077547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).