N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide

C20H23N5O2S — CID 134039826

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCCc1nccn1Cc1ccccc1)c1cccs1
InChIInChI=1S/C20H23N5O2S/c21-20(27)24-16(17-7-4-12-28-17)13-19(26)23-9-8-18-22-10-11-25(18)14-15-5-2-1-3-6-15/h1-7,10-12,16H,8-9,13-14H2,(H,23,26)(H3,21,24,27)
InChIKeyYXVNGSYZJFCVPN-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.45
Rot. Bonds9

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide (PubChem CID 134039826) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
PubChem CID134039826
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCCc1nccn1Cc1ccccc1)c1cccs1
InChIInChI=1S/C20H23N5O2S/c21-20(27)24-16(17-7-4-12-28-17)13-19(26)23-9-8-18-22-10-11-25(18)14-15-5-2-1-3-6-15/h1-7,10-12,16H,8-9,13-14H2,(H,23,26)(H3,21,24,27)
InChIKeyYXVNGSYZJFCVPN-UHFFFAOYSA-N
XLogP2.45
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111042126
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 60511072
4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-2,2-dimethylbutanoic acid
CID 122126169
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134039843
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 126773827
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134027600

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide (CID 134039826) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)NCCc1nccn1Cc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
The InChIKey is YXVNGSYZJFCVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c21-20(27)24-16(17-7-4-12-28-17)13-19(26)23-9-8-18-22-10-11-25(18)14-15-5-2-1-3-6-15/h1-7,10-12,16H,8-9,13-14H2,(H,23,26)(H3,21,24,27).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide has a molecular weight of 397.50 g/mol, XLogP of 2.45, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 134039826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).