N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide

C24H37N3O5S — CID 3206885

IUPACN-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)C(C)C)cc1
InChIInChI=1S/C24H37N3O5S/c1-17(2)23(24(29)26-19-7-4-5-8-19)27(16-20-9-6-14-32-20)22(28)15-25-33(30,31)21-12-10-18(3)11-13-21/h10-13,17,19-20,23,25H,4-9,14-16H2,1-3H3,(H,26,29)
InChIKeyQSLQHJPWIIPNQO-UHFFFAOYSA-N
MW479.64 g/mol
LogP2.36
Rot. Bonds10

About N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide

N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide (PubChem CID 3206885) has the molecular formula C24H37N3O5S and a molecular weight of 479.64 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide
PubChem CID3206885
Molecular FormulaC24H37N3O5S
Molecular Weight479.64 g/mol
Exact Mass479.25
IUPAC NameN-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)C(C)C)cc1
InChIInChI=1S/C24H37N3O5S/c1-17(2)23(24(29)26-19-7-4-5-8-19)27(16-20-9-6-14-32-20)22(28)15-25-33(30,31)21-12-10-18(3)11-13-21/h10-13,17,19-20,23,25H,4-9,14-16H2,1-3H3,(H,26,29)
InChIKeyQSLQHJPWIIPNQO-UHFFFAOYSA-N
XLogP2.36
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide?
The IUPAC name of N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide (CID 3206885) is N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide?
The canonical SMILES for N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)C(C)C)cc1.
What is the InChIKey of N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide?
The InChIKey is QSLQHJPWIIPNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5S/c1-17(2)23(24(29)26-19-7-4-5-8-19)27(16-20-9-6-14-32-20)22(28)15-25-33(30,31)21-12-10-18(3)11-13-21/h10-13,17,19-20,23,25H,4-9,14-16H2,1-3H3,(H,26,29).
What are the key properties of N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide?
N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide has a molecular weight of 479.64 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 3206885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).