N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide

C16H25NO3S — CID 114951654

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)N(C)CC2(O)CCOCC2)sc1C
InChIInChI=1S/C16H25NO3S/c1-4-5-13-10-14(21-12(13)2)15(18)17(3)11-16(19)6-8-20-9-7-16/h10,19H,4-9,11H2,1-3H3
InChIKeyDXFXNYWCDKHFKG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.62
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide (PubChem CID 114951654) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
PubChem CID114951654
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)N(C)CC2(O)CCOCC2)sc1C
InChIInChI=1S/C16H25NO3S/c1-4-5-13-10-14(21-12(13)2)15(18)17(3)11-16(19)6-8-20-9-7-16/h10,19H,4-9,11H2,1-3H3
InChIKeyDXFXNYWCDKHFKG-UHFFFAOYSA-N
XLogP2.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114951362
3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105339952
N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 64868487
2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 62818470
2-[butan-2-yl-(5-methyl-4-propylthiophene-2-carbonyl)amino]acetic acid
CID 60827755
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
CID 114946931
3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105336754
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethylbenzamide
CID 114949584
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114951605
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide (CID 114951654) is N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)N(C)CC2(O)CCOCC2)sc1C.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide?
The InChIKey is DXFXNYWCDKHFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-5-13-10-14(21-12(13)2)15(18)17(3)11-16(19)6-8-20-9-7-16/h10,19H,4-9,11H2,1-3H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 114951654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).