5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid

C13H17NO3S — CID 60722178

IUPAC5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCCN(CC1CC1)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H17NO3S/c1-2-7-14(8-9-3-4-9)12(15)10-5-6-11(18-10)13(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyNCGGQSXXSNRCOP-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.71
Rot. Bonds6

About 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid

5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 60722178) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID60722178
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCCCN(CC1CC1)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H17NO3S/c1-2-7-14(8-9-3-4-9)12(15)10-5-6-11(18-10)13(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyNCGGQSXXSNRCOP-UHFFFAOYSA-N
XLogP2.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720777
N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
CID 134029193
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 115994032
N-(cyclopropylmethyl)-5-methyl-N-propyl-4-sulfamoylthiophene-2-carboxamide
CID 115612410
N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane
CID 143534142
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655931

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid (CID 60722178) is 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid is CCCN(CC1CC1)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is NCGGQSXXSNRCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-7-14(8-9-3-4-9)12(15)10-5-6-11(18-10)13(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid?
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60722178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).