N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

C18H27N5O5S — CID 55818888

IUPACN-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N5O5S/c1-2-19-17(24)15-3-5-16(6-4-15)20-18(25)21-7-9-22(10-8-21)29(26,27)23-11-13-28-14-12-23/h3-6H,2,7-14H2,1H3,(H,19,24)(H,20,25)
InChIKeyNAWBCKBEOLQNOP-UHFFFAOYSA-N
MW425.51 g/mol
LogP0.16
Rot. Bonds5

About N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide

N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (PubChem CID 55818888) has the molecular formula C18H27N5O5S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
PubChem CID55818888
Molecular FormulaC18H27N5O5S
Molecular Weight425.51 g/mol
Exact Mass425.17
IUPAC NameN-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N5O5S/c1-2-19-17(24)15-3-5-16(6-4-15)20-18(25)21-7-9-22(10-8-21)29(26,27)23-11-13-28-14-12-23/h3-6H,2,7-14H2,1H3,(H,19,24)(H,20,25)
InChIKeyNAWBCKBEOLQNOP-UHFFFAOYSA-N
XLogP0.16
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697487
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
N-[4-[(4-ethylphenyl)carbamoyl]phenyl]morpholine-4-carboxamide
CID 110178513
N-ethyl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839441
N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698487
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
N-[4-(ethylcarbamoyl)phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72921925
4-morpholin-4-ylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperazine-1-carboxamide
CID 55698247
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide (CID 55818888) is N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is CCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is NAWBCKBEOLQNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O5S/c1-2-19-17(24)15-3-5-16(6-4-15)20-18(25)21-7-9-22(10-8-21)29(26,27)23-11-13-28-14-12-23/h3-6H,2,7-14H2,1H3,(H,19,24)(H,20,25).
What are the key properties of N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide?
N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoyl)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 55818888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).