N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C17H29N3O3S2 — CID 18165137

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(C)C1(CNC(=O)CN(C)S(=O)(=O)c2cccs2)CCCCCC1
InChIInChI=1S/C17H29N3O3S2/c1-19(2)17(10-6-4-5-7-11-17)14-18-15(21)13-20(3)25(22,23)16-9-8-12-24-16/h8-9,12H,4-7,10-11,13-14H2,1-3H3,(H,18,21)
InChIKeyNVSNRGJPRVRWKC-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.14
Rot. Bonds7

About N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 18165137) has the molecular formula C17H29N3O3S2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID18165137
Molecular FormulaC17H29N3O3S2
Molecular Weight387.57 g/mol
Exact Mass387.17
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(C)C1(CNC(=O)CN(C)S(=O)(=O)c2cccs2)CCCCCC1
InChIInChI=1S/C17H29N3O3S2/c1-19(2)17(10-6-4-5-7-11-17)14-18-15(21)13-20(3)25(22,23)16-9-8-12-24-16/h8-9,12H,4-7,10-11,13-14H2,1-3H3,(H,18,21)
InChIKeyNVSNRGJPRVRWKC-UHFFFAOYSA-N
XLogP2.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115643486
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128278
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 114751616
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1-phenylcyclobutyl)acetamide
CID 51273162
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 18165137) is N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(C)C1(CNC(=O)CN(C)S(=O)(=O)c2cccs2)CCCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is NVSNRGJPRVRWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S2/c1-19(2)17(10-6-4-5-7-11-17)14-18-15(21)13-20(3)25(22,23)16-9-8-12-24-16/h8-9,12H,4-7,10-11,13-14H2,1-3H3,(H,18,21).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 387.57 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 18165137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).