N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide

C22H27N3O3S — CID 112843902

IUPACN-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCS(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C22H27N3O3S/c1-2-25-20-9-4-3-8-18(20)19-16-17(11-12-21(19)25)23-22(26)10-7-15-29(27,28)24-13-5-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3,(H,23,26)
InChIKeyZNCZBVRJEXICEH-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.96
Rot. Bonds7

About N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide

N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 112843902) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID112843902
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCS(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C22H27N3O3S/c1-2-25-20-9-4-3-8-18(20)19-16-17(11-12-21(19)25)23-22(26)10-7-15-29(27,28)24-13-5-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3,(H,23,26)
InChIKeyZNCZBVRJEXICEH-UHFFFAOYSA-N
XLogP3.96
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
N-(3-methylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299831
3-[4-(dimethylamino)piperidin-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458844
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330387
N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide
CID 10139137

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide (CID 112843902) is N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide is CCn1c2ccccc2c2cc(NC(=O)CCCS(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is ZNCZBVRJEXICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-2-25-20-9-4-3-8-18(20)19-16-17(11-12-21(19)25)23-22(26)10-7-15-29(27,28)24-13-5-6-14-24/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3,(H,23,26).
What are the key properties of N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide?
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 413.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 112843902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).