N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide

C23H32N4O2S — CID 55741917

IUPACN-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide
SMILESCCN(CC)CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C23H32N4O2S/c1-4-26(5-2)12-13-27(16-20-7-6-14-30-20)23(29)25-21-15-18(9-8-17(21)3)22(28)24-19-10-11-19/h6-9,14-15,19H,4-5,10-13,16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyHAHUKXQCFAXUBP-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.32
Rot. Bonds10

About N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide

N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide (PubChem CID 55741917) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide
PubChem CID55741917
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC NameN-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide
SMILESCCN(CC)CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C23H32N4O2S/c1-4-26(5-2)12-13-27(16-20-7-6-14-30-20)23(29)25-21-15-18(9-8-17(21)3)22(28)24-19-10-11-19/h6-9,14-15,19H,4-5,10-13,16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyHAHUKXQCFAXUBP-UHFFFAOYSA-N
XLogP4.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide (CID 55741917) is N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide is CCN(CC)CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide?
The InChIKey is HAHUKXQCFAXUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-4-26(5-2)12-13-27(16-20-7-6-14-30-20)23(29)25-21-15-18(9-8-17(21)3)22(28)24-19-10-11-19/h6-9,14-15,19H,4-5,10-13,16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide?
N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide has a molecular weight of 428.60 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylbenzamide is sourced from PubChem (CID 55741917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).