N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide

C16H26N2O3S — CID 95626014

IUPACN-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide
SMILESCCC[C@@H](C)CS(=O)(=O)N[C@H](C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H26N2O3S/c1-5-7-12(2)11-22(20,21)18-13(3)15-8-6-9-16(10-15)17-14(4)19/h6,8-10,12-13,18H,5,7,11H2,1-4H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyFLSKSQOJVRXWOQ-CHWSQXEVSA-N
MW326.46 g/mol
LogP3.06
Rot. Bonds8

About N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide

N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide (PubChem CID 95626014) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide
PubChem CID95626014
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide
SMILESCCC[C@@H](C)CS(=O)(=O)N[C@H](C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H26N2O3S/c1-5-7-12(2)11-22(20,21)18-13(3)15-8-6-9-16(10-15)17-14(4)19/h6,8-10,12-13,18H,5,7,11H2,1-4H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyFLSKSQOJVRXWOQ-CHWSQXEVSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46595994

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide (CID 95626014) is N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide is CCC[C@@H](C)CS(=O)(=O)N[C@H](C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide?
The InChIKey is FLSKSQOJVRXWOQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-7-12(2)11-22(20,21)18-13(3)15-8-6-9-16(10-15)17-14(4)19/h6,8-10,12-13,18H,5,7,11H2,1-4H3,(H,17,19)/t12-,13-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide?
N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide has a molecular weight of 326.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[[(2R)-2-methylpentyl]sulfonylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 95626014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).