3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide

C18H28N2O4S — CID 69179670

IUPAC3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1cc(S(C)(=O)=O)ccc1NCC1(O)CCCC1)C(N)=O
InChIInChI=1S/C18H28N2O4S/c1-17(2,16(19)21)11-13-10-14(25(3,23)24)6-7-15(13)20-12-18(22)8-4-5-9-18/h6-7,10,20,22H,4-5,8-9,11-12H2,1-3H3,(H2,19,21)
InChIKeyHWJFSBROQKDXBK-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.86
Rot. Bonds7

About 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide

3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide (PubChem CID 69179670) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide
PubChem CID69179670
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1cc(S(C)(=O)=O)ccc1NCC1(O)CCCC1)C(N)=O
InChIInChI=1S/C18H28N2O4S/c1-17(2,16(19)21)11-13-10-14(25(3,23)24)6-7-15(13)20-12-18(22)8-4-5-9-18/h6-7,10,20,22H,4-5,8-9,11-12H2,1-3H3,(H2,19,21)
InChIKeyHWJFSBROQKDXBK-UHFFFAOYSA-N
XLogP1.86
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-Ethylsulfonyl-2-[2-(trifluoromethoxy)ethylamino]phenyl]-2,2-dimethylpropanamide
CID 91556991
4-[2-(Cyclopropylmethylamino)-5-methylsulfonylphenyl]-3,3-dimethylbutanamide
CID 91600848
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110427448
3-(4-acetamidophenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626468

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide (CID 69179670) is 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide is CC(C)(Cc1cc(S(C)(=O)=O)ccc1NCC1(O)CCCC1)C(N)=O.
What is the InChIKey of 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide?
The InChIKey is HWJFSBROQKDXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-17(2,16(19)21)11-13-10-14(25(3,23)24)6-7-15(13)20-12-18(22)8-4-5-9-18/h6-7,10,20,22H,4-5,8-9,11-12H2,1-3H3,(H2,19,21).
What are the key properties of 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide?
3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide has a molecular weight of 368.50 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 69179670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).