5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide

C20H36N2O3S — CID 129027493

IUPAC5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide
SMILESC=C(C)CCOC(C)(C)CCNC(=O)CCCCC1C[C@@H](NC=O)CS1
InChIInChI=1S/C20H36N2O3S/c1-16(2)9-12-25-20(3,4)10-11-21-19(24)8-6-5-7-18-13-17(14-26-18)22-15-23/h15,17-18H,1,5-14H2,2-4H3,(H,21,24)(H,22,23)/t17-,18?/m1/s1
InChIKeyWIOAPSJDCHHIKH-QNSVNVJESA-N
MW384.59 g/mol
LogP3.43
Rot. Bonds14

About 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide

5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide (PubChem CID 129027493) has the molecular formula C20H36N2O3S and a molecular weight of 384.59 g/mol. Its IUPAC name is 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide.

Molecular Properties

Compound Name5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide
PubChem CID129027493
Molecular FormulaC20H36N2O3S
Molecular Weight384.59 g/mol
Exact Mass384.24
IUPAC Name5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide
SMILESC=C(C)CCOC(C)(C)CCNC(=O)CCCCC1C[C@@H](NC=O)CS1
InChIInChI=1S/C20H36N2O3S/c1-16(2)9-12-25-20(3,4)10-11-21-19(24)8-6-5-7-18-13-17(14-26-18)22-15-23/h15,17-18H,1,5-14H2,2-4H3,(H,21,24)(H,22,23)/t17-,18?/m1/s1
InChIKeyWIOAPSJDCHHIKH-QNSVNVJESA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(dithiolan-3-yl)-N-[3-methyl-3-(3-methyl-3-nitrosobutoxy)butyl]pentanamide
CID 144696750
[(3R)-1-octadecanoylpyrrolidin-3-yl] 4-[[3-methyl-3-(3-methylbut-3-enoxy)butyl]amino]-4-oxobutanoate
CID 176935672
5-[5-[(2R,4R)-4-(methylcarbamoylamino)thiolan-2-yl]pentanoylamino]pentyl 6-hydrazinylhexanoate
CID 90446767
N-(2-azidoethyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide
CID 173496908
4-cyano-4-ethylsulfanylcarbothioylsulfanyl-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide
CID 145127305
N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
CID 146942531
3-methyl-3-(3-methylbut-3-enoxy)butan-1-amine
CID 155082784
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-methyl-4-[4-(methylamino)butan-2-yloxy]butan-2-yl]oxyethyl]pentanamide
CID 156791282
ethane;N-[(3R,4S)-4-(methylamino)-2-(5-methylhex-5-enyl)thiolan-3-yl]formamide
CID 144831522
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide
CID 129253107
N-[3-[3-(methoxymethoxy)-3-methylbutoxy]-3-methylbutyl]-N'-[3-methyl-3-[3-methyl-3-(propan-2-yloxymethoxy)butoxy]butyl]octanediamide
CID 170374124

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide?
The IUPAC name of 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide (CID 129027493) is 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide.
What is the SMILES notation for 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide?
The canonical SMILES for 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide is C=C(C)CCOC(C)(C)CCNC(=O)CCCCC1C[C@@H](NC=O)CS1.
What is the InChIKey of 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide?
The InChIKey is WIOAPSJDCHHIKH-QNSVNVJESA-N. The full InChI is InChI=1S/C20H36N2O3S/c1-16(2)9-12-25-20(3,4)10-11-21-19(24)8-6-5-7-18-13-17(14-26-18)22-15-23/h15,17-18H,1,5-14H2,2-4H3,(H,21,24)(H,22,23)/t17-,18?/m1/s1.
What are the key properties of 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide?
5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide has a molecular weight of 384.59 g/mol, XLogP of 3.43, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-4-formamidothiolan-2-yl]-N-[3-methyl-3-(3-methylbut-3-enoxy)butyl]pentanamide is sourced from PubChem (CID 129027493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).