5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide

C24H30ClN3O4S — CID 15951233

IUPAC5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide
SMILESCOC1CC(NC(=O)c2ccc(Cl)s2)(C(=O)Nc2ccc3c(c2)CCN(C)CC3)CC1OC
InChIInChI=1S/C24H30ClN3O4S/c1-28-10-8-15-4-5-17(12-16(15)9-11-28)26-23(30)24(13-18(31-2)19(14-24)32-3)27-22(29)20-6-7-21(25)33-20/h4-7,12,18-19H,8-11,13-14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyAUKFRIHKUXBARC-UHFFFAOYSA-N
MW492.04 g/mol
LogP3.36
Rot. Bonds6

About 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide

5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide (PubChem CID 15951233) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide
PubChem CID15951233
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC Name5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide
SMILESCOC1CC(NC(=O)c2ccc(Cl)s2)(C(=O)Nc2ccc3c(c2)CCN(C)CC3)CC1OC
InChIInChI=1S/C24H30ClN3O4S/c1-28-10-8-15-4-5-17(12-16(15)9-11-28)26-23(30)24(13-18(31-2)19(14-24)32-3)27-22(29)20-6-7-21(25)33-20/h4-7,12,18-19H,8-11,13-14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyAUKFRIHKUXBARC-UHFFFAOYSA-N
XLogP3.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[3,4-dihydroxy-1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)acetyl]cyclopentyl]thiophene-2-carboxamide
CID 159886130
(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-[(5S)-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxolane-3-carboxamide
CID 59621135
(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-(3-methylspiro[2,5-dihydro-1H-3-benzazepine-4,1'-cyclopropane]-8-yl)oxolane-3-carboxamide
CID 59621204
5-chloro-N-[4-methoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide;ethane
CID 143713791
5-chloro-N-[3-(4-hydroxyphenyl)-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 70320860
4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-3-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-3-oxopropoxy]butanoic acid
CID 59452290
[3-[(5-chlorothiophene-2-carbonyl)amino]oxolan-3-yl] N-(5,5-difluoro-3-methyl-2,4-dihydro-1H-3-benzazepin-8-yl)carbamate
CID 67455860
(2R)-1-N-(4-chlorophenyl)-4-methoxy-2-methyl-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 143526130
5-chloro-N-[4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-oxo-1-propan-2-yloxybutan-2-yl]thiophene-2-carboxamide
CID 148988186
5-chloro-N-[(3R)-1-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxohexan-3-yl]thiophene-2-carboxamide
CID 158525759
5-chloro-N-[(2R)-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxo-4-(2H-tetrazol-5-yl)butan-2-yl]thiophene-2-carboxamide
CID 59452356
5-chloro-N-[1-[(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)amino]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 59452248

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide (CID 15951233) is 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide is COC1CC(NC(=O)c2ccc(Cl)s2)(C(=O)Nc2ccc3c(c2)CCN(C)CC3)CC1OC.
What is the InChIKey of 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide?
The InChIKey is AUKFRIHKUXBARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-28-10-8-15-4-5-17(12-16(15)9-11-28)26-23(30)24(13-18(31-2)19(14-24)32-3)27-22(29)20-6-7-21(25)33-20/h4-7,12,18-19H,8-11,13-14H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide?
5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide has a molecular weight of 492.04 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3,4-dimethoxy-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)carbamoyl]cyclopentyl]thiophene-2-carboxamide is sourced from PubChem (CID 15951233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).