N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide

C16H24N2O4S — CID 2221982

IUPACN-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCC1
InChIInChI=1S/C16H24N2O4S/c1-12-8-9-14(22-3)15(10-12)23(20,21)18(2)11-16(19)17-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyNIHRXBNVDXIXRX-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.68
Rot. Bonds6

About N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide

N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 2221982) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID2221982
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCC1
InChIInChI=1S/C16H24N2O4S/c1-12-8-9-14(22-3)15(10-12)23(20,21)18(2)11-16(19)17-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,17,19)
InChIKeyNIHRXBNVDXIXRX-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4877419
4-methoxy-3-methyl-N-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 6463582
MicroRNA modulator-1
CID 5967303
N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
CID 967889
1-[2-(N-Methyl2-methoxy-5-methylbenzenesulfonamido)acetyl]piperidine-4-carboxamide
CID 1095809
2-Methoxy-5,N-dimethyl-N-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-benzenesulfonamide
CID 1095811
1-{3-[4-Methoxy-3-(1-piperidinylsulfonyl)phenyl]acryloyl}-4-methylpiperazine
CID 1191208
N-cyclopentyl-1-[(2-methoxy-5-methylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1263366
1-[(2-methoxy-5-methylphenyl)sulfonyl]-N-(2-phenylethyl)-4-piperidinecarboxamide
CID 1263562
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1815555
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 2215724

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide (CID 2221982) is N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is NIHRXBNVDXIXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-8-9-14(22-3)15(10-12)23(20,21)18(2)11-16(19)17-13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 2221982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).