N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide

C20H27ClN4O2S — CID 56583675

IUPACN-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide
SMILESCCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(NC(C)=O)cc1Cl
InChIInChI=1S/C20H27ClN4O2S/c1-4-24(5-2)10-11-25(14-17-7-6-12-28-17)20(27)23-19-9-8-16(13-18(19)21)22-15(3)26/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyPODYPCSOLUPDEN-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.74
Rot. Bonds9

About N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide

N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide (PubChem CID 56583675) has the molecular formula C20H27ClN4O2S and a molecular weight of 422.98 g/mol. Its IUPAC name is N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide
PubChem CID56583675
Molecular FormulaC20H27ClN4O2S
Molecular Weight422.98 g/mol
Exact Mass422.15
IUPAC NameN-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide
SMILESCCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(NC(C)=O)cc1Cl
InChIInChI=1S/C20H27ClN4O2S/c1-4-24(5-2)10-11-25(14-17-7-6-12-28-17)20(27)23-19-9-8-16(13-18(19)21)22-15(3)26/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyPODYPCSOLUPDEN-UHFFFAOYSA-N
XLogP4.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide (CID 56583675) is N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide is CCN(CC)CCN(Cc1cccs1)C(=O)Nc1ccc(NC(C)=O)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide?
The InChIKey is PODYPCSOLUPDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2S/c1-4-24(5-2)10-11-25(14-17-7-6-12-28-17)20(27)23-19-9-8-16(13-18(19)21)22-15(3)26/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide?
N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide has a molecular weight of 422.98 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 56583675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).