N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide

C14H23NO3S — CID 110007408

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccsc1C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C14H23NO3S/c1-10(16)7-14(2,3)9-15-13(17)12-11(8-18-4)5-6-19-12/h5-6,10,16H,7-9H2,1-4H3,(H,15,17)
InChIKeyXRPANTJEXSJUTC-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.42
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide (PubChem CID 110007408) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide
PubChem CID110007408
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccsc1C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C14H23NO3S/c1-10(16)7-14(2,3)9-15-13(17)12-11(8-18-4)5-6-19-12/h5-6,10,16H,7-9H2,1-4H3,(H,15,17)
InChIKeyXRPANTJEXSJUTC-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
N-(cyclopentylmethyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 75448549
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 111480419
N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 111480449
2-[2-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526415
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
3-(4-tert-butylphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
CID 120520488
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
3-ethyl-N-(2-hydroxy-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 113237947
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 71972444
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide (CID 110007408) is N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide is COCc1ccsc1C(=O)NCC(C)(C)CC(C)O.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide?
The InChIKey is XRPANTJEXSJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(16)7-14(2,3)9-15-13(17)12-11(8-18-4)5-6-19-12/h5-6,10,16H,7-9H2,1-4H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 110007408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).