N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide

C20H23N5O2S — CID 126825045

IUPACN-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide
SMILESCC(NC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1nccn1C
InChIInChI=1S/C20H23N5O2S/c1-14(18-21-10-11-24(18)2)22-20(27)23-16-8-5-4-7-15(16)13-25(3)19(26)17-9-6-12-28-17/h4-12,14H,13H2,1-3H3,(H2,22,23,27)
InChIKeyHKSKPHWTFJNSAM-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.64
Rot. Bonds6

About N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide

N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 126825045) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide
PubChem CID126825045
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide
SMILESCC(NC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1nccn1C
InChIInChI=1S/C20H23N5O2S/c1-14(18-21-10-11-24(18)2)22-20(27)23-16-8-5-4-7-15(16)13-25(3)19(26)17-9-6-12-28-17/h4-12,14H,13H2,1-3H3,(H2,22,23,27)
InChIKeyHKSKPHWTFJNSAM-UHFFFAOYSA-N
XLogP3.64
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 120990425
N-methyl-N-[[2-(pyridin-3-ylmethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 75385509
1-[bis(1-methylimidazol-2-yl)methyl]-3-[2-(1,1-difluoroethyl)phenyl]urea
CID 154765474
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
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CID 69258575
CID 69258575
N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide
CID 95311038
3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473260
potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580
2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473331
N-[3-methyl-1-[4-(1-methylimidazole-2-carbonyl)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613852
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 27900346

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide (CID 126825045) is N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide is CC(NC(=O)Nc1ccccc1CN(C)C(=O)c1cccs1)c1nccn1C.
What is the InChIKey of N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is HKSKPHWTFJNSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14(18-21-10-11-24(18)2)22-20(27)23-16-8-5-4-7-15(16)13-25(3)19(26)17-9-6-12-28-17/h4-12,14H,13H2,1-3H3,(H2,22,23,27).
What are the key properties of N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide?
N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[1-(1-methylimidazol-2-yl)ethylcarbamoylamino]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 126825045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).