N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide

C20H27N3O2S — CID 55984026

IUPACN-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCCC(CC)C(NC(=O)CNC(=O)Nc1cccc(C)c1)c1cccs1
InChIInChI=1S/C20H27N3O2S/c1-4-15(5-2)19(17-10-7-11-26-17)23-18(24)13-21-20(25)22-16-9-6-8-14(3)12-16/h6-12,15,19H,4-5,13H2,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyJCCLKYXERGIWAE-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.47
Rot. Bonds8

About N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide

N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 55984026) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
PubChem CID55984026
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCCC(CC)C(NC(=O)CNC(=O)Nc1cccc(C)c1)c1cccs1
InChIInChI=1S/C20H27N3O2S/c1-4-15(5-2)19(17-10-7-11-26-17)23-18(24)13-21-20(25)22-16-9-6-8-14(3)12-16/h6-12,15,19H,4-5,13H2,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyJCCLKYXERGIWAE-UHFFFAOYSA-N
XLogP4.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
CID 86983305
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(3-methylphenyl)urea
CID 122264994
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-(3-methylphenyl)-3-thiophen-2-ylurea
CID 108889157
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55903263

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide (CID 55984026) is N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide is CCC(CC)C(NC(=O)CNC(=O)Nc1cccc(C)c1)c1cccs1.
What is the InChIKey of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The InChIKey is JCCLKYXERGIWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-4-15(5-2)19(17-10-7-11-26-17)23-18(24)13-21-20(25)22-16-9-6-8-14(3)12-16/h6-12,15,19H,4-5,13H2,1-3H3,(H,23,24)(H2,21,22,25).
What are the key properties of N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 373.52 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 55984026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).