6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C25H32N2O3S2 — CID 137472697

IUPAC6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2c(s1)-c1ccccc1N(S(=O)(=O)C1CCCCCCCC1)CC2
InChIInChI=1S/C25H32N2O3S2/c28-25(26-19-13-14-19)23-17-18-15-16-27(22-12-8-7-11-21(22)24(18)31-23)32(29,30)20-9-5-3-1-2-4-6-10-20/h7-8,11-12,17,19-20H,1-6,9-10,13-16H2,(H,26,28)
InChIKeyWDLXQOPQNKVROG-UHFFFAOYSA-N
MW472.68 g/mol
LogP5.50
Rot. Bonds4

About 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 137472697) has the molecular formula C25H32N2O3S2 and a molecular weight of 472.68 g/mol. Its IUPAC name is 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

Compound Name6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
PubChem CID137472697
Molecular FormulaC25H32N2O3S2
Molecular Weight472.68 g/mol
Exact Mass472.19
IUPAC Name6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2c(s1)-c1ccccc1N(S(=O)(=O)C1CCCCCCCC1)CC2
InChIInChI=1S/C25H32N2O3S2/c28-25(26-19-13-14-19)23-17-18-15-16-27(22-12-8-7-11-21(22)24(18)31-23)32(29,30)20-9-5-3-1-2-4-6-10-20/h7-8,11-12,17,19-20H,1-6,9-10,13-16H2,(H,26,28)
InChIKeyWDLXQOPQNKVROG-UHFFFAOYSA-N
XLogP5.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-6-[[6-(1,4-oxazepan-4-yl)-2-pyridinyl]sulfonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130249397
N-cyclopropyl-6-(6-piperidin-4-ylpyridine-2-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247745
N-(4-aminocyclohexyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide;hydrochloride
CID 119475848
N-cyclopropyl-6-[6-(5-methyl-3-pyridinyl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248468
6-[6-(3-aminopyrrolidin-1-yl)pyridine-2-carbonyl]-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247976
N-cyclopropyl-6-[6-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pyridine-3-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 72725301
N-cyclopropyl-6-[6-(2-pyridin-2-ylpropan-2-ylamino)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248484
N-cyclopropyl-6-[6-(6-methoxy-3-pyridinyl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247746
N-cyclopropyl-6-[[6-(1,4-oxazepan-4-yl)-2-pyridinyl]sulfanyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248381
N-cyclopropyl-6-[6-[2-(1,4-oxazepan-4-yl)-3-pyridinyl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248798
N-cyclopropyl-6-[6-(3-morpholin-4-ylphenyl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247749
4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)-N-phenylpiperidine-1-carboxamide
CID 134042293

Frequently Asked Questions

What is the IUPAC name of 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The IUPAC name of 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 137472697) is 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.
What is the SMILES notation for 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The canonical SMILES for 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is O=C(NC1CC1)c1cc2c(s1)-c1ccccc1N(S(=O)(=O)C1CCCCCCCC1)CC2.
What is the InChIKey of 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The InChIKey is WDLXQOPQNKVROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S2/c28-25(26-19-13-14-19)23-17-18-15-16-27(22-12-8-7-11-21(22)24(18)31-23)32(29,30)20-9-5-3-1-2-4-6-10-20/h7-8,11-12,17,19-20H,1-6,9-10,13-16H2,(H,26,28).
What are the key properties of 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 472.68 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclononylsulfonyl-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 137472697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).