1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid

C17H19NO5S — CID 143432123

IUPAC1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid
SMILESCOc1cc(C(=O)c2cccs2)c(OC)cc1CC(C)NC(=O)O
InChIInChI=1S/C17H19NO5S/c1-10(18-17(20)21)7-11-8-14(23-3)12(9-13(11)22-2)16(19)15-5-4-6-24-15/h4-6,8-10,18H,7H2,1-3H3,(H,20,21)
InChIKeyKHLQIDMTHAONOF-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.19
Rot. Bonds7

About 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid

1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid (PubChem CID 143432123) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid
PubChem CID143432123
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid
SMILESCOc1cc(C(=O)c2cccs2)c(OC)cc1CC(C)NC(=O)O
InChIInChI=1S/C17H19NO5S/c1-10(18-17(20)21)7-11-8-14(23-3)12(9-13(11)22-2)16(19)15-5-4-6-24-15/h4-6,8-10,18H,7H2,1-3H3,(H,20,21)
InChIKeyKHLQIDMTHAONOF-UHFFFAOYSA-N
XLogP3.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone
CID 82054009
(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone
CID 57091683
N-[1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46643139
[(2S)-1-(2-methoxycarbonylphenyl)propan-2-yl]carbamic acid
CID 67083581
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
thiophen-2-yl-(2,4,6-trimethoxyphenyl)methanone
CID 93191545
1-[(2,4-dimethoxyphenyl)methyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 87039146
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
CID 37345483
1-(5-ethyl-3,6-dimethoxy-2-pyridinyl)propan-2-ylcarbamic acid
CID 170310396
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid?
The IUPAC name of 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid (CID 143432123) is 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid is COc1cc(C(=O)c2cccs2)c(OC)cc1CC(C)NC(=O)O.
What is the InChIKey of 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid?
The InChIKey is KHLQIDMTHAONOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-10(18-17(20)21)7-11-8-14(23-3)12(9-13(11)22-2)16(19)15-5-4-6-24-15/h4-6,8-10,18H,7H2,1-3H3,(H,20,21).
What are the key properties of 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid?
1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid has a molecular weight of 349.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid is sourced from PubChem (CID 143432123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).