2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid

C15H19NO3S — CID 114479239

IUPAC2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
SMILESCc1cc(C(N)=O)ccc1CSCC1(CC(=O)O)CC1
InChIInChI=1S/C15H19NO3S/c1-10-6-11(14(16)19)2-3-12(10)8-20-9-15(4-5-15)7-13(17)18/h2-3,6H,4-5,7-9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyGNZFHCNUPKEPNX-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.58
Rot. Bonds7

About 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid

2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 114479239) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
PubChem CID114479239
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
SMILESCc1cc(C(N)=O)ccc1CSCC1(CC(=O)O)CC1
InChIInChI=1S/C15H19NO3S/c1-10-6-11(14(16)19)2-3-12(10)8-20-9-15(4-5-15)7-13(17)18/h2-3,6H,4-5,7-9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyGNZFHCNUPKEPNX-UHFFFAOYSA-N
XLogP2.58
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-carbamoyl-2-methylphenyl)methylsulfanyl]acetic acid
CID 114479212
4-(2-aminopropylsulfanylmethyl)-3-methylbenzamide
CID 114483896
2-[1-[(2,6-dichloro-3-pyridinyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 106993404
4-[(4-carbamoyl-2-methylphenyl)methylsulfanyl]benzoic acid
CID 114479218
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
2-[1-[(4-acetylphenyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65441958
2-[1-[(3,4-dichlorophenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441505
2-[1-[(5-methoxycarbonyl-4-methylfuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441726
2-[1-[(3-fluorophenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65442084
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
2-[1-[(3-bromo-4-methoxyphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65442319
2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441527

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid (CID 114479239) is 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid is Cc1cc(C(N)=O)ccc1CSCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is GNZFHCNUPKEPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10-6-11(14(16)19)2-3-12(10)8-20-9-15(4-5-15)7-13(17)18/h2-3,6H,4-5,7-9H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 293.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-carbamoyl-2-methylphenyl)methylsulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 114479239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).