N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide

C22H32N2O3S — CID 47731570

IUPACN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H32N2O3S/c1-15(2)24(3)28(26,27)20-6-4-16(5-7-20)14-23-21(25)22-11-17-8-18(12-22)10-19(9-17)13-22/h4-7,15,17-19H,8-14H2,1-3H3,(H,23,25)
InChIKeyBEFYBXHAQIUAPG-UHFFFAOYSA-N
MW404.58 g/mol
LogP3.55
Rot. Bonds6

About N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide

N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 47731570) has the molecular formula C22H32N2O3S and a molecular weight of 404.58 g/mol. Its IUPAC name is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
PubChem CID47731570
Molecular FormulaC22H32N2O3S
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC NameN-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H32N2O3S/c1-15(2)24(3)28(26,27)20-6-4-16(5-7-20)14-23-21(25)22-11-17-8-18(12-22)10-19(9-17)13-22/h4-7,15,17-19H,8-14H2,1-3H3,(H,23,25)
InChIKeyBEFYBXHAQIUAPG-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 47731867
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686
1-cyclopentyl-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 110989791
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115
1-(2-ethylbutyl)-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 111890915
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
2-methyl-1-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111939421
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 47731927
N-[[4-[butyl(2-hydroxyethyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 78855618
1-butyl-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine
CID 111150442
2-methyl-1-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119149005

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide (CID 47731570) is N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide is CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is BEFYBXHAQIUAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3S/c1-15(2)24(3)28(26,27)20-6-4-16(5-7-20)14-23-21(25)22-11-17-8-18(12-22)10-19(9-17)13-22/h4-7,15,17-19H,8-14H2,1-3H3,(H,23,25).
What are the key properties of N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide?
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 404.58 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 47731570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).