N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide

C19H31N3O3S — CID 113157058

IUPACN-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H31N3O3S/c1-5-21(6-2)17-11-12-18(15(3)13-17)22(26(4,24)25)14-19(23)20-16-9-7-8-10-16/h11-13,16H,5-10,14H2,1-4H3,(H,20,23)
InChIKeyQCRLUTNYQSSCFQ-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.67
Rot. Bonds8

About N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide

N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide (PubChem CID 113157058) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide
PubChem CID113157058
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H31N3O3S/c1-5-21(6-2)17-11-12-18(15(3)13-17)22(26(4,24)25)14-19(23)20-16-9-7-8-10-16/h11-13,16H,5-10,14H2,1-4H3,(H,20,23)
InChIKeyQCRLUTNYQSSCFQ-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
N-cyclopropyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156212
2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]-N-(2-methylpropyl)acetamide
CID 113157055
N-cyclohexyl-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156765
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157484
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide (CID 113157058) is N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide is CCN(CC)c1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide?
The InChIKey is QCRLUTNYQSSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-5-21(6-2)17-11-12-18(15(3)13-17)22(26(4,24)25)14-19(23)20-16-9-7-8-10-16/h11-13,16H,5-10,14H2,1-4H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide?
N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide has a molecular weight of 381.54 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide is sourced from PubChem (CID 113157058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).