N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C24H26N4O4S — CID 55540409

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C24H26N4O4S/c1-28-15-14-25-24(28)23(30)18-6-9-20(10-7-18)27-22(29)12-13-26-33(31,32)21-11-8-17-4-2-3-5-19(17)16-21/h6-11,14-16,26H,2-5,12-13H2,1H3,(H,27,29)
InChIKeyNIEJPYJCXXGRML-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.84
Rot. Bonds8

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 55540409) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID55540409
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C24H26N4O4S/c1-28-15-14-25-24(28)23(30)18-6-9-20(10-7-18)27-22(29)12-13-26-33(31,32)21-11-8-17-4-2-3-5-19(17)16-21/h6-11,14-16,26H,2-5,12-13H2,1H3,(H,27,29)
InChIKeyNIEJPYJCXXGRML-UHFFFAOYSA-N
XLogP2.84
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112771015
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 30970419
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24610754
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 25357824
N-[4-methyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55711548
N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55885066
N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112999633
N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24536423
N-ethyl-3-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 26371339
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 55540409) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is Cn1ccnc1C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is NIEJPYJCXXGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-28-15-14-25-24(28)23(30)18-6-9-20(10-7-18)27-22(29)12-13-26-33(31,32)21-11-8-17-4-2-3-5-19(17)16-21/h6-11,14-16,26H,2-5,12-13H2,1H3,(H,27,29).
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 466.56 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55540409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).