N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide

C24H36FN3O5S — CID 651522

IUPACN-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H36FN3O5S/c1-17(2)23(24(30)27-19-7-4-3-5-8-19)28(16-20-9-6-14-33-20)22(29)15-26-34(31,32)21-12-10-18(25)11-13-21/h10-13,17,19-20,23,26H,3-9,14-16H2,1-2H3,(H,27,30)
InChIKeyRUVCSDIPXINFSD-UHFFFAOYSA-N
MW497.63 g/mol
LogP2.59
Rot. Bonds10

About N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide

N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide (PubChem CID 651522) has the molecular formula C24H36FN3O5S and a molecular weight of 497.63 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide
PubChem CID651522
Molecular FormulaC24H36FN3O5S
Molecular Weight497.63 g/mol
Exact Mass497.24
IUPAC NameN-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H36FN3O5S/c1-17(2)23(24(30)27-19-7-4-3-5-8-19)28(16-20-9-6-14-33-20)22(29)15-26-34(31,32)21-12-10-18(25)11-13-21/h10-13,17,19-20,23,26H,3-9,14-16H2,1-2H3,(H,27,30)
InChIKeyRUVCSDIPXINFSD-UHFFFAOYSA-N
XLogP2.59
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.63
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide?
The IUPAC name of N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide (CID 651522) is N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide is CC(C)C(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide?
The InChIKey is RUVCSDIPXINFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3O5S/c1-17(2)23(24(30)27-19-7-4-3-5-8-19)28(16-20-9-6-14-33-20)22(29)15-26-34(31,32)21-12-10-18(25)11-13-21/h10-13,17,19-20,23,26H,3-9,14-16H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide?
N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide has a molecular weight of 497.63 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-3-methylbutanamide is sourced from PubChem (CID 651522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).