N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide

C18H26N4O4S2 — CID 97405498

IUPACN-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCn3cnc(CNS(C)(=O)=O)c3C2)cc1
InChIInChI=1S/C18H26N4O4S2/c1-14(2)15-5-7-16(8-6-15)28(25,26)22-10-4-9-21-13-19-17(18(21)12-22)11-20-27(3,23)24/h5-8,13-14,20H,4,9-12H2,1-3H3
InChIKeySHFBWZNRFJTIJP-UHFFFAOYSA-N
MW426.56 g/mol
LogP1.65
Rot. Bonds6

About N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide

N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (PubChem CID 97405498) has the molecular formula C18H26N4O4S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
PubChem CID97405498
Molecular FormulaC18H26N4O4S2
Molecular Weight426.56 g/mol
Exact Mass426.14
IUPAC NameN-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCn3cnc(CNS(C)(=O)=O)c3C2)cc1
InChIInChI=1S/C18H26N4O4S2/c1-14(2)15-5-7-16(8-6-15)28(25,26)22-10-4-9-21-13-19-17(18(21)12-22)11-20-27(3,23)24/h5-8,13-14,20H,4,9-12H2,1-3H3
InChIKeySHFBWZNRFJTIJP-UHFFFAOYSA-N
XLogP1.65
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-methyl-N-[[8-(4-methylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]propan-2-amine;2,2,2-trifluoroacetic acid
CID 155862750
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
4-(4-propan-2-ylphenyl)sulfonyl-1,4-thiazepane
CID 86992430
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 118771862
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
4-(4-propan-2-ylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811973
1-[4-(4-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110796726

Frequently Asked Questions

What is the IUPAC name of N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide (CID 97405498) is N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is CC(C)c1ccc(S(=O)(=O)N2CCCn3cnc(CNS(C)(=O)=O)c3C2)cc1.
What is the InChIKey of N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
The InChIKey is SHFBWZNRFJTIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S2/c1-14(2)15-5-7-16(8-6-15)28(25,26)22-10-4-9-21-13-19-17(18(21)12-22)11-20-27(3,23)24/h5-8,13-14,20H,4,9-12H2,1-3H3.
What are the key properties of N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide?
N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(4-propan-2-ylphenyl)sulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97405498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).