2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid

C18H24N2O5S — CID 119194905

IUPAC2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C18H24N2O5S/c1-13-5-8-15(26(24,25)19-9-3-2-4-10-19)11-16(13)18(23)20(12-17(21)22)14-6-7-14/h5,8,11,14H,2-4,6-7,9-10,12H2,1H3,(H,21,22)
InChIKeyDIMCPFQETSGRKC-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.86
Rot. Bonds6

About 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid

2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid (PubChem CID 119194905) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
PubChem CID119194905
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C18H24N2O5S/c1-13-5-8-15(26(24,25)19-9-3-2-4-10-19)11-16(13)18(23)20(12-17(21)22)14-6-7-14/h5,8,11,14H,2-4,6-7,9-10,12H2,1H3,(H,21,22)
InChIKeyDIMCPFQETSGRKC-UHFFFAOYSA-N
XLogP1.86
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 55372562
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2361083
2-[cyclopropyl-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]acetic acid
CID 119195449
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
3-[ethyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119191193
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
N,2-dimethyl-N-(1-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 43021987
2-methyl-N-phenyl-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 55551276
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119194844
N-[(4-bromophenyl)methyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31145350

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid (CID 119194905) is 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid?
The InChIKey is DIMCPFQETSGRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-13-5-8-15(26(24,25)19-9-3-2-4-10-19)11-16(13)18(23)20(12-17(21)22)14-6-7-14/h5,8,11,14H,2-4,6-7,9-10,12H2,1H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid?
2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid has a molecular weight of 380.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid is sourced from PubChem (CID 119194905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).