N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide

C20H28N2O3S — CID 100633383

IUPACN-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)CC1
InChIInChI=1S/C20H28N2O3S/c1-13-6-9-15(10-7-13)22-26(24,25)12-18(23)21-20-17-11-8-14-4-2-3-5-16(14)19(17)20/h2-5,13,15,17,19-20,22H,6-12H2,1H3,(H,21,23)/t13?,15?,17-,19+,20+/m0/s1
InChIKeyJCPGNJUGUREIFL-LXIGQZRCSA-N
MW376.52 g/mol
LogP2.33
Rot. Bonds5

About N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide

N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide (PubChem CID 100633383) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
PubChem CID100633383
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)CC1
InChIInChI=1S/C20H28N2O3S/c1-13-6-9-15(10-7-13)22-26(24,25)12-18(23)21-20-17-11-8-14-4-2-3-5-16(14)19(17)20/h2-5,13,15,17,19-20,22H,6-12H2,1H3,(H,21,23)/t13?,15?,17-,19+,20+/m0/s1
InChIKeyJCPGNJUGUREIFL-LXIGQZRCSA-N
XLogP2.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide with MolForge

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Related Compounds

1-[2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120552283
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-2-methyl-3-oxopropanoic acid
CID 122065770
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-thiophen-2-ylsulfanylacetamide
CID 75386042
N-[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-thiophen-2-ylsulfanylacetamide
CID 97237561
N-(4-aminocyclohexyl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119479042
N-[2-[[(1R,1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 97237562
2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-3-phenylpropanoic acid
CID 119165753
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-[4-(aminomethyl)triazol-1-yl]acetamide
CID 166301905
3-N,5-N-bis(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)pyridine-3,5-dicarboxamide
CID 154840149
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012775
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)butan-1-one
CID 114962262
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(methylamino)acetamide
CID 119822552

Frequently Asked Questions

What is the IUPAC name of N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide?
The IUPAC name of N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide (CID 100633383) is N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide.
What is the SMILES notation for N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide?
The canonical SMILES for N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide is CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)CC1.
What is the InChIKey of N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide?
The InChIKey is JCPGNJUGUREIFL-LXIGQZRCSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-13-6-9-15(10-7-13)22-26(24,25)12-18(23)21-20-17-11-8-14-4-2-3-5-16(14)19(17)20/h2-5,13,15,17,19-20,22H,6-12H2,1H3,(H,21,23)/t13?,15?,17-,19+,20+/m0/s1.
What are the key properties of N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide?
N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide has a molecular weight of 376.52 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,1aS,7bS)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide is sourced from PubChem (CID 100633383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).