2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide

C18H25N3O3S — CID 142430868

IUPAC2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(S(C)(=O)=O)cc2N=C(N)C1
InChIInChI=1S/C18H25N3O3S/c1-4-8-21(9-5-2)18(22)14-10-13-6-7-15(25(3,23)24)12-16(13)20-17(19)11-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,19,20)
InChIKeyUKEWTJJYNAECJV-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.51
Rot. Bonds6

About 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide

2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide (PubChem CID 142430868) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
PubChem CID142430868
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(S(C)(=O)=O)cc2N=C(N)C1
InChIInChI=1S/C18H25N3O3S/c1-4-8-21(9-5-2)18(22)14-10-13-6-7-15(25(3,23)24)12-16(13)20-17(19)11-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,19,20)
InChIKeyUKEWTJJYNAECJV-UHFFFAOYSA-N
XLogP2.51
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-8-(4-hydroxyphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 51034180
2-amino-8-N-methyl-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 139538112
2-amino-N,N-dipropyl-8-(4-propylphenyl)-3H-1-benzazepine-4-carboxamide
CID 131968950
2-[4-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]acetic acid
CID 50943463
2-amino-8-(4-ethylsulfanylphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 126712959
2-amino-8-N-phenyl-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 122510230
3-[4-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]propanoic acid
CID 90348231
2-amino-4-[2-aminoethoxy(propyl)carbamoyl]-3H-1-benzazepine-8-sulfonic acid
CID 169137476
2-amino-8-[2-(2-methylsulfonylethyl)-1-oxoisoquinolin-6-yl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 138463851
2-amino-8-[3-(3-hydroxyazetidin-1-yl)sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 121429538
2-amino-8-(3-methylsulfinylphenyl)-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
CID 126696191
2-amino-7-fluoro-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide
CID 150131747

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide?
The IUPAC name of 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide (CID 142430868) is 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide.
What is the SMILES notation for 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide?
The canonical SMILES for 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide is CCCN(CCC)C(=O)C1=Cc2ccc(S(C)(=O)=O)cc2N=C(N)C1.
What is the InChIKey of 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide?
The InChIKey is UKEWTJJYNAECJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-8-21(9-5-2)18(22)14-10-13-6-7-15(25(3,23)24)12-16(13)20-17(19)11-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,19,20).
What are the key properties of 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide?
2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methylsulfonyl-N,N-dipropyl-3H-1-benzazepine-4-carboxamide is sourced from PubChem (CID 142430868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).