N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide

C22H31N5O2S — CID 67054260

IUPACN-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
SMILESCN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C22H31N5O2S/c1-26(2)11-12-27(22(29)24-18-5-3-4-6-18)13-16-7-9-17(10-8-16)21(28)25-20-15-30-14-19(20)23/h7-10,14-15,18H,3-6,11-13,23H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyCYLHKVVPNNXWIS-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.60
Rot. Bonds8

About N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide

N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide (PubChem CID 67054260) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
PubChem CID67054260
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC NameN-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
SMILESCN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C22H31N5O2S/c1-26(2)11-12-27(22(29)24-18-5-3-4-6-18)13-16-7-9-17(10-8-16)21(28)25-20-15-30-14-19(20)23/h7-10,14-15,18H,3-6,11-13,23H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyCYLHKVVPNNXWIS-UHFFFAOYSA-N
XLogP3.60
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 67054323
N-(2-aminophenyl)-4-[[benzylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 58001196
N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-phenylphenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide
CID 67054223
N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 44513522
N-(4-aminothiophen-3-yl)-4-[[benzylcarbamoyl(3-morpholin-4-ylpropyl)amino]methyl]benzamide
CID 67054227
N-(2-aminophenyl)-5-[[2-bicyclo[2.2.1]heptanylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 59225162
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-(3-amino-2,3-dihydrothiophen-4-yl)-4-[[2,3-dihydro-1H-inden-5-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 67963590
tert-butyl N-[4-[[5-[[cyclopentylcarbamoyl(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 67054334

Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide?
The IUPAC name of N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide (CID 67054260) is N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide?
The canonical SMILES for N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide is CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)cc1)C(=O)NC1CCCC1.
What is the InChIKey of N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide?
The InChIKey is CYLHKVVPNNXWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-26(2)11-12-27(22(29)24-18-5-3-4-6-18)13-16-7-9-17(10-8-16)21(28)25-20-15-30-14-19(20)23/h7-10,14-15,18H,3-6,11-13,23H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide?
N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 67054260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).