2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid

C15H21NO4S — CID 43656275

IUPAC2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid
SMILESCCCc1ccc(S(=O)(=O)N(CC(=O)O)CC2CC2)cc1
InChIInChI=1S/C15H21NO4S/c1-2-3-12-6-8-14(9-7-12)21(19,20)16(11-15(17)18)10-13-4-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyWVQMMLZBDSYFFW-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.12
Rot. Bonds8

About 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid

2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid (PubChem CID 43656275) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid
PubChem CID43656275
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid
SMILESCCCc1ccc(S(=O)(=O)N(CC(=O)O)CC2CC2)cc1
InChIInChI=1S/C15H21NO4S/c1-2-3-12-6-8-14(9-7-12)21(19,20)16(11-15(17)18)10-13-4-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyWVQMMLZBDSYFFW-UHFFFAOYSA-N
XLogP2.12
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656183
2-[cyclopropylmethyl-(4-nitrophenyl)sulfonylamino]acetic acid
CID 43656191
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
2-[cyclopropylmethyl(2,3-dihydro-1H-inden-5-ylsulfonyl)amino]acetic acid
CID 43656196
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402746
2-[4-[cyclopropylmethyl(ethyl)sulfamoyl]phenyl]ethanethioamide
CID 79195550
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 43656223
N-(2-bromoethyl)-N-cyclopropyl-4-propylbenzenesulfonamide
CID 80668225
2-[(4-ethylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79261866
3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid
CID 62827439

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid (CID 43656275) is 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid is CCCc1ccc(S(=O)(=O)N(CC(=O)O)CC2CC2)cc1.
What is the InChIKey of 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid?
The InChIKey is WVQMMLZBDSYFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-2-3-12-6-8-14(9-7-12)21(19,20)16(11-15(17)18)10-13-4-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid?
2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid has a molecular weight of 311.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 43656275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).