N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide

C18H28N2O4S — CID 2912693

IUPACN-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide
SMILESCCOc1ccc(N(C(C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O4S/c1-4-24-17-11-9-16(10-12-17)20(25(3,22)23)15(2)18(21)19-13-7-5-6-8-14-19/h9-12,15H,4-8,13-14H2,1-3H3
InChIKeyZYUAJIQHNFKTBX-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.64
Rot. Bonds6

About N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide

N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide (PubChem CID 2912693) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide
PubChem CID2912693
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide
SMILESCCOc1ccc(N(C(C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O4S/c1-4-24-17-11-9-16(10-12-17)20(25(3,22)23)15(2)18(21)19-13-7-5-6-8-14-19/h9-12,15H,4-8,13-14H2,1-3H3
InChIKeyZYUAJIQHNFKTBX-UHFFFAOYSA-N
XLogP2.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propetamide
CID 68937
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-(4-ethoxyphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 2914790
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 4620189
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N-(2-phenylethyl)methanesulfonamide
CID 1021970
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanesulfonamide
CID 2943924
p-ACETOPHENETIDIDE, N-ETHYL-
CID 48371
Acetamide, 2-(acetyl-(4-ethoxyphenyl)amino)-N,N-dimethyl-
CID 19528
Acetanilide, N-(dimethylcarbamoylmethyl)-4'-isopropoxy-
CID 56473
Acetanilide, N-(dimethylcarbamoylmethyl)-4'-propoxy-
CID 56475
Acetanilide, 4'-butoxy-N-(dimethylcarbamoylmethyl)-
CID 56559

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide?
The IUPAC name of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide (CID 2912693) is N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide is CCOc1ccc(N(C(C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide?
The InChIKey is ZYUAJIQHNFKTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-24-17-11-9-16(10-12-17)20(25(3,22)23)15(2)18(21)19-13-7-5-6-8-14-19/h9-12,15H,4-8,13-14H2,1-3H3.
What are the key properties of N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide?
N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(4-ethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 2912693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).