1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide

C19H30N2O3S — CID 120651689

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1
InChIInChI=1S/C19H30N2O3S/c1-5-20-16(4)13-21-18(22)19(10-6-7-11-19)25(23,24)17-12-14(2)8-9-15(17)3/h8-9,12,16,20H,5-7,10-11,13H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyYEVNTICCQIFQED-MRXNPFEDSA-N
MW366.53 g/mol
LogP2.50
Rot. Bonds7

About 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide (PubChem CID 120651689) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
PubChem CID120651689
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1
InChIInChI=1S/C19H30N2O3S/c1-5-20-16(4)13-21-18(22)19(10-6-7-11-19)25(23,24)17-12-14(2)8-9-15(17)3/h8-9,12,16,20H,5-7,10-11,13H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyYEVNTICCQIFQED-MRXNPFEDSA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide (CID 120651689) is 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide is CCN[C@H](C)CNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide?
The InChIKey is YEVNTICCQIFQED-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-5-20-16(4)13-21-18(22)19(10-6-7-11-19)25(23,24)17-12-14(2)8-9-15(17)3/h8-9,12,16,20H,5-7,10-11,13H2,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 120651689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).