(2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide

C22H32N2O5S — CID 140946039

IUPAC(2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide
SMILESC[C@H](c1cccc(OCC2CC2)c1)C(CCCCC1CCC(=O)NC1=O)S(N)(=O)=O
InChIInChI=1S/C22H32N2O5S/c1-15(18-6-4-7-19(13-18)29-14-16-9-10-16)20(30(23,27)28)8-3-2-5-17-11-12-21(25)24-22(17)26/h4,6-7,13,15-17,20H,2-3,5,8-12,14H2,1H3,(H2,23,27,28)(H,24,25,26)/t15-,17?,20?/m1/s1
InChIKeyKCORKIPOBVCSJK-XRTORIHISA-N
MW436.57 g/mol
LogP2.85
Rot. Bonds11

About (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide

(2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide (PubChem CID 140946039) has the molecular formula C22H32N2O5S and a molecular weight of 436.57 g/mol. Its IUPAC name is (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide
PubChem CID140946039
Molecular FormulaC22H32N2O5S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC Name(2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide
SMILESC[C@H](c1cccc(OCC2CC2)c1)C(CCCCC1CCC(=O)NC1=O)S(N)(=O)=O
InChIInChI=1S/C22H32N2O5S/c1-15(18-6-4-7-19(13-18)29-14-16-9-10-16)20(30(23,27)28)8-3-2-5-17-11-12-21(25)24-22(17)26/h4,6-7,13,15-17,20H,2-3,5,8-12,14H2,1H3,(H2,23,27,28)(H,24,25,26)/t15-,17?,20?/m1/s1
InChIKeyKCORKIPOBVCSJK-XRTORIHISA-N
XLogP2.85
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-5-[1-[3-(cyclopropylmethoxy)phenyl]ethylamino]sulfanylpent-2-enyl]piperidine-2,6-dione
CID 144663961
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
3-(cyclopropylmethoxy)-N-[2-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]propan-2-yl]benzenesulfonamide
CID 76903093
3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione
CID 147666390
3-[6-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethylamino]sulfanylhexyl]piperidine-2,6-dione
CID 145227308
3-[3-(cyclopropylmethoxy)phenyl]butanal
CID 117311168
(E)-N-[2-[3-(cyclopropylmethoxy)phenyl]propan-2-yl]-5-[(3S)-2,6-dioxopiperidin-3-yl]pent-3-ene-1-sulfonamide
CID 134543324
1-[(2R)-1-butylsulfonylpropan-2-yl]-3-(cyclopropylmethoxy)benzene
CID 58218504
N-[1-[3-(cyclopropylmethoxy)phenyl]ethyl]-5-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)pent-3-ene-1-sulfonamide
CID 123847966
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]ethyl]-2-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethoxy]ethanesulfonamide
CID 135220300
1-[(E)-5-[(2R)-2-[3-(cyclopropylmethoxy)phenyl]propyl]sulfonylpent-2-enyl]-1,3-diazinane-2,4-dione
CID 149387417
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide?
The IUPAC name of (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide (CID 140946039) is (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide.
What is the SMILES notation for (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide?
The canonical SMILES for (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide is C[C@H](c1cccc(OCC2CC2)c1)C(CCCCC1CCC(=O)NC1=O)S(N)(=O)=O.
What is the InChIKey of (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide?
The InChIKey is KCORKIPOBVCSJK-XRTORIHISA-N. The full InChI is InChI=1S/C22H32N2O5S/c1-15(18-6-4-7-19(13-18)29-14-16-9-10-16)20(30(23,27)28)8-3-2-5-17-11-12-21(25)24-22(17)26/h4,6-7,13,15-17,20H,2-3,5,8-12,14H2,1H3,(H2,23,27,28)(H,24,25,26)/t15-,17?,20?/m1/s1.
What are the key properties of (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide?
(2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide has a molecular weight of 436.57 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(cyclopropylmethoxy)phenyl]-7-(2,6-dioxopiperidin-3-yl)heptane-3-sulfonamide is sourced from PubChem (CID 140946039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).