N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide

C23H25N3O4S — CID 39349715

IUPACN-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C23H25N3O4S/c27-23(18-2-6-21(7-3-18)31(28,29)25-11-13-30-14-12-25)26(20-4-5-20)16-17-1-8-22-19(15-17)9-10-24-22/h1-3,6-10,15,20,24H,4-5,11-14,16H2
InChIKeyVKPCLUNWJSOALE-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.99
Rot. Bonds6

About N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 39349715) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID39349715
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1
InChIInChI=1S/C23H25N3O4S/c27-23(18-2-6-21(7-3-18)31(28,29)25-11-13-30-14-12-25)26(20-4-5-20)16-17-1-8-22-19(15-17)9-10-24-22/h1-3,6-10,15,20,24H,4-5,11-14,16H2
InChIKeyVKPCLUNWJSOALE-UHFFFAOYSA-N
XLogP2.99
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39337246
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 37483746
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 118789700
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2-methyloxolane-2-carboxamide
CID 119070678
cis-(1R,3S)-3-[cyclopropyl(1H-indol-5-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74243543
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8855114
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
3-bromo-N-cyclopropyl-N-(1H-indol-6-ylmethyl)benzamide
CID 39313919
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90496092

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (CID 39349715) is N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VKPCLUNWJSOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c27-23(18-2-6-21(7-3-18)31(28,29)25-11-13-30-14-12-25)26(20-4-5-20)16-17-1-8-22-19(15-17)9-10-24-22/h1-3,6-10,15,20,24H,4-5,11-14,16H2.
What are the key properties of N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1H-indol-5-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 39349715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).