N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C21H26N2O4S — CID 30393222

IUPACN-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-16(2)27-20-7-5-6-19(14-20)22-21(24)18-10-8-17(9-11-18)15-28(25,26)23-12-3-4-13-23/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24)
InChIKeyKZHJWKOOFINPNJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.65
Rot. Bonds7

About N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 30393222) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID30393222
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-16(2)27-20-7-5-6-19(14-20)22-21(24)18-10-8-17(9-11-18)15-28(25,26)23-12-3-4-13-23/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24)
InChIKeyKZHJWKOOFINPNJ-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-(4-bromo-3-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92671481
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
1-[(3-bromophenyl)methylsulfonyl]-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 28633746
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 28633511
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 30393222) is N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is CC(C)Oc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is KZHJWKOOFINPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16(2)27-20-7-5-6-19(14-20)22-21(24)18-10-8-17(9-11-18)15-28(25,26)23-12-3-4-13-23/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 30393222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).