N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide

C18H26N4O3S — CID 139599568

IUPACN,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H26N4O3S/c1-19(2)26(24,25)22-10-6-9-21(11-12-22)18(23)13-15-14-20(3)17-8-5-4-7-16(15)17/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyBNLNAUYEXZJVJM-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.06
Rot. Bonds4

About N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide

N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide (PubChem CID 139599568) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
PubChem CID139599568
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H26N4O3S/c1-19(2)26(24,25)22-10-6-9-21(11-12-22)18(23)13-15-14-20(3)17-8-5-4-7-16(15)17/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyBNLNAUYEXZJVJM-UHFFFAOYSA-N
XLogP1.06
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[2-(1-propan-2-ylindol-3-yl)acetyl]piperazine-1-sulfonamide
CID 71706138
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
N,N-dimethyl-4-(2-methylbenzoyl)-1,4-diazepane-1-sulfonamide
CID 110798257
4-(1,2-dimethylindole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805060
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
1-[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(1-methylindol-3-yl)ethanone;formic acid
CID 172912030

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide (CID 139599568) is N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1.
What is the InChIKey of N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide?
The InChIKey is BNLNAUYEXZJVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-19(2)26(24,25)22-10-6-9-21(11-12-22)18(23)13-15-14-20(3)17-8-5-4-7-16(15)17/h4-5,7-8,14H,6,9-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide?
N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 139599568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).