3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide

C20H20ClN3O2S2 — CID 43022690

IUPAC3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESNC(=O)NC(CC(=O)N(Cc1cccs1)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2S2/c21-15-7-5-14(6-8-15)18(23-20(22)26)11-19(25)24(12-16-3-1-9-27-16)13-17-4-2-10-28-17/h1-10,18H,11-13H2,(H3,22,23,26)
InChIKeyWEGXKWZPECIZIE-UHFFFAOYSA-N
MW433.99 g/mol
LogP4.79
Rot. Bonds8

About 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide

3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide (PubChem CID 43022690) has the molecular formula C20H20ClN3O2S2 and a molecular weight of 433.99 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
PubChem CID43022690
Molecular FormulaC20H20ClN3O2S2
Molecular Weight433.99 g/mol
Exact Mass433.07
IUPAC Name3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESNC(=O)NC(CC(=O)N(Cc1cccs1)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2S2/c21-15-7-5-14(6-8-15)18(23-20(22)26)11-19(25)24(12-16-3-1-9-27-16)13-17-4-2-10-28-17/h1-10,18H,11-13H2,(H3,22,23,26)
InChIKeyWEGXKWZPECIZIE-UHFFFAOYSA-N
XLogP4.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.99
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-3-phenyl-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 43064243
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 55373105
(3S)-3-(4-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 717591
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8849047
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8849048
3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
CID 104502284
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 39964074
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
CID 42971295
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380339
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 2604070
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8807604

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide (CID 43022690) is 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide is NC(=O)NC(CC(=O)N(Cc1cccs1)Cc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The InChIKey is WEGXKWZPECIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S2/c21-15-7-5-14(6-8-15)18(23-20(22)26)11-19(25)24(12-16-3-1-9-27-16)13-17-4-2-10-28-17/h1-10,18H,11-13H2,(H3,22,23,26).
What are the key properties of 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide?
3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide has a molecular weight of 433.99 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(4-chlorophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 43022690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).